smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CS(=O)(=O)CCCNN 63014624 ZQJQZDHBEXECJD-UHFFFAOYSA-N 152.219 -1.116 0 30 AAAC N=C(N)C1=C[C@@H](O)[C@@H](O)[C@@H](CO)O1 238568487 ZCOOPPWEFZVABM-UYFOZJQFSA-N 188.183 -2.081 0 30 AAAC N[C@@H](CO)C(=O)NCCO 104591586 SNJHTJUWWOTLAG-BYPYZUCNSA-N 148.162 -2.586 0 30 AAAC CNS(=O)(=O)C[C@@H]1CNCCO1 238310355 DRWMVYSSBGMOSK-LURJTMIESA-N 194.256 -1.476 0 30 AAAC CO[C@H]1[C@@H](O)[C@H](O)CO[C@H]1O 14593938 UAXFCDNRLADBDZ-DPYQTVNSSA-N 164.157 -1.928 0 30 AAAC O=C(NCCO)C1=NN=CC1 5494790 GABYFMPNKDGTAV-UHFFFAOYSA-N 155.157 -1.075 0 30 AAAC in-vitro N[C@@H]1CNC[C@H]1O 34413647 ZCZJKVCIYONNJR-QWWZWVQMSA-N 102.137 -1.722 0 30 AAAC N[C@H]1CO[C@@H]2[C@H](N)CO[C@H]12 104556881 XHQWSUCHPAVLNQ-JGWLITMVSA-N 144.174 -1.561 0 30 AAAC C[C@@H](O)CN1CCN(CCN)CC1 34165852 RIJVOTKRVIPNIZ-SECBINFHSA-N 187.287 -1.057 0 30 AAAC CCNC(CO)CO 73836680 GWMADSUQNXLNCF-UHFFFAOYSA-N 119.164 -1.051 0 30 AAAC OC[C@@H]1NC[C@H]2CNC[C@H]21 197586702 HQMJWVCANIVKHA-QYNIQEEDSA-N 142.202 -1.214 0 30 AAAC OC[C@@H]1O[C@@H](O)[C@@H](O)[C@@H]1O 2556400 HMFHBZSHGGEWLO-SKNVOMKLSA-N 150.130 -2.582 0 30 AAAC in-vitro NC(=O)[C@H]1NC(=O)CNC1=O 215369150 JGVRNHGDWGAHBQ-GSVOUGTGSA-N 157.129 -2.914 0 30 AAAC O[C@@]1(c2nn[nH]n2)CCNC1 711217083 QMMJWKPNLAIMGD-YFKPBYRVSA-N 155.161 -1.619 0 30 AAAC OC[C@@H](O)COC[C@H]1CO1 5134885 RCXHRHWRRACBTK-RITPCOANSA-N 148.158 -1.245 0 30 AAAC NC1=NCC(=O)O1 33637076 JZJGGWZIRGGIDK-UHFFFAOYSA-N 100.077 -1.142 0 30 AAAC NC(=O)[C@H](N)[C@@H]1CCOC1 37870616 MJXBRSNXTFSIDJ-RFZPGFLSSA-N 144.174 -1.165 0 30 AAAC in-vitro O=C(O)[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O 306313031 UDQPBAKZZSWNSE-KKQCNMDGSA-N 178.140 -2.448 0 30 AAAC CN1C(=O)[C@@H]2CC[C@H](C1=O)N2N 19168709 REDXCMZCCZLQCV-SYDPRGILSA-N 169.184 -1.308 0 30 AAAC O=C(O)[C@H](O)[C@H](F)C(=O)O 39125626 FJOQIMHGSNFURE-NHYDCYSISA-N 152.077 -1.145 0 30 AAAC NCCCC[C@H]1NC(=O)CNC1=O 39115124 OGQVYQIZUYYYKI-ZCFIWIBFSA-N 185.227 -1.270 0 30 AAAC NC[C@]1(CO)CCNC1 39094915 SOCIAWKDLHUOID-ZCFIWIBFSA-N 130.191 -1.083 0 30 AAAC NC(=O)[C@]1(N2CCNCC2)CCOC1 70992702 WKNQEQDVCYVFKC-VIFPVBQESA-N 199.254 -1.464 0 30 AAAC N[C@@H]1C[C@H](O)[C@H](O)C[C@@H]1C(=O)O 307176027 GTBPANMHPBGVAV-KCDKBNATSA-N 175.184 -1.470 0 30 AAAC CN1C(=O)[C@@H]2NCN[C@@H]2N(C)C1=O 209354459 UBNFVIOYSNCMBL-RFZPGFLSSA-N 184.199 -1.645 0 30 AAAC NCCCCNC(=O)C(O)O 39058308 VADXQRWCAWMBCF-UHFFFAOYSA-N 162.189 -1.848 0 30 AAAC N[S@](=O)C1CS(=O)(=O)C1 675072173 ZSVROFPXJOTFRT-MRVPVSSYSA-N 169.227 -1.594 0 30 AAAC C[C@]12NCCN1CCN1CCN[C@H]12 34455110 BQVJIIFJTDCVSN-BDAKNGLRSA-N 182.271 -1.147 0 30 AAAC C1CNNCCN1 114611618 BCTOTXKVBAMWTM-UHFFFAOYSA-N 101.153 -1.316 0 30 AAAC NC(=O)CC[C@H]1NC(=O)CNC1=O 2560883 PWADXPITHGKDSY-SCSAIBSYSA-N 185.183 -2.134 0 30 AAAC O=C1NC(=O)[C@H]2CC[C@H]1N2 104606123 WBKAUNHCLBEXAX-QWWZWVQMSA-N 140.142 -1.237 0 30 AAAC CN1CC(NC#N)=NCC1=O 39059381 AANBRYDVOCSSIG-UHFFFAOYSA-N 152.157 -1.072 0 30 AAAC OC[C@H]1O[C@@H](O)[C@H](O)[C@H]1O 2569311 HMFHBZSHGGEWLO-KKQCNMDGSA-N 150.130 -2.582 0 30 AAAC in-vitro COCCOCCNC(=O)C(=O)O 44728718 GAPMDAMWFPANIM-UHFFFAOYSA-N 191.183 -1.150 0 30 AAAC in-vitro O=c1[nH]c(=O)n(Cl)c(=O)[nH]1 31622887 ISAOUZVKYLHALD-UHFFFAOYSA-N 163.520 -1.773 0 30 AAAC CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1F 104403228 CRIUOMMBWCCBCQ-NYMZXIIRSA-N 196.174 -1.590 0 30 AAAC C[C@H]1C(=O)NC(=O)N[C@H]1O 6031692 IXLRNGYVHSNFAY-GBXIJSLDSA-N 144.130 -1.220 0 30 AAAC OC[C@@H]1NC[C@@H]2CNC[C@@H]21 24255506 HQMJWVCANIVKHA-ACZMJKKPSA-N 142.202 -1.214 0 30 AAAC CN1C(=O)CN(N)C1=O 88613720 DMMHMQLJJPVXHL-UHFFFAOYSA-N 129.119 -1.246 0 30 AAAC in-vitro CC(C)[C@@H]1NS(=O)(=O)NC1=O 143594565 ARGDYBLGWYGDMM-BYPYZUCNSA-N 178.213 -1.025 0 30 AAAC NC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO 39205600 SDOFMBGMRVAJNF-KCDKBNATSA-N 181.188 -3.619 0 30 AAAC in-vitro CC1=NC[C@H](O)[C@H](C(=O)O)N1 14723862 KIIBBJKLKFTNQO-CRCLSJGQSA-N 158.157 -1.178 0 30 AAAC NC[C@@H]1OCO[C@H]1C(=O)NC1CC1 143264808 VIYJNVFQWJAIMR-NKWVEPMBSA-N 186.211 -1.035 0 30 AAAC CN1CN2C[C@H](O)C[C@@H]2C1=O 39115606 HDXMIEKMICWNKI-PHDIDXHHSA-N 156.185 -1.149 0 30 AAAC NC(=O)[C@@H](N)C[C@@H](F)C(N)=O 39135983 GDWYVVYGQWQRRZ-GBXIJSLDSA-N 163.152 -1.988 0 30 AAAC O=C1NC(=O)C2(COC2)N1 142276469 MNAPYPBKKRUAQR-UHFFFAOYSA-N 142.114 -1.405 0 30 AAAC Cn1nnc(CN)c1C(=O)O 950757582 XDSISTCEECFCHT-UHFFFAOYSA-N 156.145 -1.028 0 30 AAAC O=C1C[C@@H](O)[C@@H](CO)O[C@@H]1O 38600292 UHPMJDGOAZMIID-PUFIMZNGSA-N 162.141 -1.984 0 30 AAAC CN(CC(=O)O)C[C@@H](O)CO 39058340 PMSRESSOZRBDAN-RXMQYKEDSA-N 163.173 -1.644 0 30 AAAC C[C@@H](C(N)=O)N1CC(=O)NC(=O)C1 58979165 LIPALIAJZQEXFB-BYPYZUCNSA-N 185.183 -2.181 0 30 AAAC NC1C(=O)NC(=S)NC1=O 100053596 WZBBBQBIROLPEL-UHFFFAOYSA-N 159.170 -2.155 0 30 AAAC NC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O 4787856 FXVPOMKTIZKCTJ-RWOPYEJCSA-N 179.172 -3.255 0 30 AAAC Cn1cnnc1[C@H](N)CO 54497514 KFADKSJJPPUWKL-SCSAIBSYSA-N 142.162 -1.193 0 30 AAAC CS(=O)(=O)N1CC(CN)C1 84987230 ZKCWWKRPEWYQBE-UHFFFAOYSA-N 164.230 -1.164 0 30 AAAC in-vitro CNC(=O)C[C@@H]1NCCN(C)C1=O 75576906 JVKMUUCQFUOROV-LURJTMIESA-N 185.227 -1.447 0 30 AAAC O=C(O)[C@H](O)CN1CCOCC1 84444075 XGLLRUJTMQIUHX-ZCFIWIBFSA-N 175.184 -1.236 0 30 AAAC N[C@H]1CCN(CC(=O)O)C1=O 26576625 ZMCJOKMEFYSAOH-BYPYZUCNSA-N 158.157 -1.369 0 30 AAAC C[C@]12NCCN[C@@]1(C)NCCN2 2265362289 LQWQILRMAADMQS-OCAPTIKFSA-N 170.260 -1.196 0 30 AAAC CN(C)CC(=O)N(C)CCC(N)=O 308437820 XMOJFFWQSWZWOR-UHFFFAOYSA-N 187.243 -1.118 0 30 AAAC CCC(=O)NCC(=O)NCC(=O)O 2689476 DKPVCUCPLQDSDI-UHFFFAOYSA-N 188.183 -1.287 0 30 AAAC COC(=O)[C@@H]1C[C@H](C(=O)O)N1 39088174 DRUUKULEYUWFNI-DMTCNVIQSA-N 159.141 -1.026 0 30 AAAC O=C1NCCN1CO 5190256 XQCHHZHVJHXGCM-UHFFFAOYSA-N 116.120 -1.039 0 30 AAAC COCN1C(=O)N(CO)[C@H](O)[C@@H]1O 5701194 KGMHAIHCEYDEIV-UHNVWZDZSA-N 192.171 -2.086 0 30 AAAC COC(=O)C1(CO)CNC1 238373533 XGPDFYHHJRNBQZ-UHFFFAOYSA-N 145.158 -1.259 0 30 AAAC NC(=O)CC[C@@H]1NCOC1=O 39058037 CMHFLOAUTXVETI-BYPYZUCNSA-N 158.157 -1.276 0 30 AAAC O=C(O)[C@@H]1O[C@H]2CNC[C@@H]1O2 39018223 NTAHOXKMFKBSHB-VAYJURFESA-N 159.141 -1.216 0 30 AAAC O[C@]1(c2nn[nH]n2)CCNC1 711217057 QMMJWKPNLAIMGD-RXMQYKEDSA-N 155.161 -1.619 0 30 AAAC OC[C@@H]1O[C@@H](O)[C@H](O)[C@H]1O 2569310 HMFHBZSHGGEWLO-QMKXCQHVSA-N 150.130 -2.582 0 30 AAAC endogenous,in-man N[C@@H](Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O 6523967 GDRSOHBLEJXJIV-BYPYZUCNSA-N 199.166 -1.982 0 30 AAAC Cn1ccc(=O)n(CCCN)c1=O 82614877 VMUPLRWTUDDREC-UHFFFAOYSA-N 183.211 -1.104 0 30 AAAC C[C@]1(C(=O)O)C[C@H](O)[C@H](O)CO1 218402946 NSNMFWKACGLDJE-HBPOCXIASA-N 176.168 -1.028 0 30 AAAC CCOC(=O)[C@@H](O)[C@H](O)C(=O)O 2539191 ZUDZWKJBYZAGBS-IMJSIDKUSA-N 178.140 -1.644 0 30 AAAC OCC1CNNC1 200043123 FPLGVOSLJCBGLF-UHFFFAOYSA-N 102.137 -1.297 0 30 AAAC COC(=O)C1(O)COC1 260384167 AUTXDHULZLJQGX-UHFFFAOYSA-N 132.115 -1.079 0 30 AAAC NNCCN1CCNCC1 37406172 XTHQMNYSCVRMIK-UHFFFAOYSA-N 144.222 -1.645 0 30 AAAC NS(=O)(=O)NCCCO 60161691 LEPBKTTWBUBQJL-UHFFFAOYSA-N 154.191 -1.838 0 30 AAAC C[C@@H]1CN(C=O)[C@@H](O)[C@@H](O)N1C=O 238805053 SAYDIOJUYWQANF-DSYKOEDSSA-N 188.183 -2.058 0 30 AAAC O=S(=O)(O)NO 256056029 IIXGBDGCPUYARL-UHFFFAOYSA-N 113.094 -1.232 0 30 AAAC O=c1[nH]cnc2[nH][nH]c(=O)c12 32191440 MEMZZEWZIKXSAU-UHFFFAOYSA-N 152.113 -1.061 0 30 AAAC CCOC(=O)[C@@H]1C[C@H](N)[C@@H](O)[C@@H]1O 238796413 BFNHIMATPXBNSW-XZBKPIIZSA-N 189.211 -1.382 0 30 AAAC CN1C[C@H](N)CCS1(=O)=O 2265385798 WDNUKNGNJARQDU-RXMQYKEDSA-N 164.230 -1.021 0 30 AAAC N[C@H]1C=C[C@@H](O)[C@@H](O)[C@@H]1O 28470054 RAJLHDDMNNFKNT-SLPGGIOYSA-N 145.158 -2.034 0 30 AAAC CC(=O)N[C@H](Cc1c[nH]cn1)C(N)=O 95347995 JEJJSUSQDDAEKQ-SSDOTTSWSA-N 196.210 -1.058 0 30 AAAC in-vitro C[C@@H]1[C@H](C(=O)O)[C@H](O)C(=O)N1C 669371567 HCYHZGDPSAJBAK-WISUUJSJSA-N 173.168 -1.091 0 30 AAAC N[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 13544124 WCWOEQFAYSXBRK-PHYPRBDBSA-N 179.172 -3.255 0 30 AAAC Nc1c(O)c(=O)c1=O 100336074 DXFAKICEAMVVTD-UHFFFAOYSA-N 113.072 -1.430 0 30 AAAC CN1[C@@H](CN)CCS1(=O)=O 238329546 OXNDZRMJSBSWLA-RXMQYKEDSA-N 164.230 -1.021 0 30 AAAC CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O 5226959 HOVAGTYPODGVJG-BIVRFLNRSA-N 194.183 -2.567 0 30 AAAC C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO 6037003 SKCKOFZKJLZSFA-JGWLITMVSA-N 166.173 -2.558 0 30 AAAC C[C@@H]1NC(=O)[C@H](CCCN)NC1=O 13531520 URHJBOMJGTXIAL-WDSKDSINSA-N 185.227 -1.272 0 30 AAAC OC[C@@H]1O[C@H](O)[C@@H](F)[C@@H](O)[C@@H]1O 11616575 ZCXUVYAZINUVJD-YJRYQGEOSA-N 182.147 -2.244 0 30 AAAC in-vitro COCC(=O)NCCN 19262402 FSQWGDLVDNEQFJ-UHFFFAOYSA-N 132.163 -1.292 0 30 AAAC C[C@@H](CN)NCCO 19367529 QLSQYTKEUVPIJA-YFKPBYRVSA-N 118.180 -1.085 0 30 AAAC O=CN[C@H]1NCCN[C@@H]1NC=O 39113835 IEXBMQJFGIRECA-PHDIDXHHSA-N 172.188 -2.677 0 30 AAAC NC[C@H]1CS(=O)(=O)CCO1 88613748 HRBKDHHEZAYQSZ-YFKPBYRVSA-N 165.214 -1.241 0 30 AAAC in-vitro COCNC(=O)NCO 5701198 DATBHDRXGLZCHA-UHFFFAOYSA-N 134.135 -1.161 0 30 AAAC N[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O 22061920 RQBSUMJKSOSGJJ-SQOUGZDYSA-N 149.146 -2.616 0 30 AAAC N=C(N)NC(=O)c1nccnc1N 33753639 GTOFYYPYNNNMLP-UHFFFAOYSA-N 180.171 -1.318 0 30 AAAC O=C1NC(=O)C(=O)[C@@H](O)N1 100071175 QDGZKCSFHGNRFP-UWTATZPHSA-N 144.086 -2.287 0 30 AAAC O[C@@H]1CO[C@@H](O)[C@@H](O)C1 14963005 ZTOHRSGVYZXRGQ-VAYJURFESA-N 134.131 -1.553 0 30 AAAC O=C1OC(=O)[C@@H]2[C@H]1[C@H]1O[C@H]2[C@@H]2O[C@@H]21 145421808 DEEDDGAXEIHTMA-SCCKRLBHSA-N 182.131 -1.149 0 30 AAAC CO[C@@H](CO)CN1CCNCC1 38949735 CIPQCVIPGZJCBL-MRVPVSSYSA-N 174.244 -1.101 0 30 AAAC NC(=S)N1CC(N)C1 221859814 BBWXNRNHXHCVDN-UHFFFAOYSA-N 131.204 -1.127 0 30 AAAC CC(=O)N[C@@H]1C[C@H](CO)[C@@H](O)[C@@H]1O 17421721 KJFMWZCEHSQWQV-WCTZXXKLSA-N 189.211 -1.775 0 30 AAAC C[C@H](O)CNCCN1CCNCC1 19366458 IFJMAOCMMIEGBE-VIFPVBQESA-N 187.287 -1.138 0 30 AAAC NC1=CC(=O)NC(=O)C1 39116674 YZJUCSJIJAZADS-UHFFFAOYSA-N 126.115 -1.125 0 30 AAAC CO[C@H](CO)CN1CCNCC1 38949733 CIPQCVIPGZJCBL-QMMMGPOBSA-N 174.244 -1.101 0 30 AAAC N[C@@H]1C(=O)N[C@H](C(=O)O)[C@H]1O 100284750 OTFLHMRYVVDFLY-ZPAAKOCQSA-N 160.129 -2.742 0 30 AAAC N[C@@H]1[C@@H](O)C[C@H]1O 2265385656 XRSPSLMIYRTMHA-KPIAHEAESA-N 103.121 -1.561 0 30 AAAC OC[C@H](O)COB(O)O 196203756 QFSNCROGCLRZHC-VKHMYHEASA-N 135.912 -2.674 0 30 AAAC OC[C@@]12O[C@@H]1[C@@H](O)[C@@H]1O[C@@H]12 104524776 HUJKSEYWQUBJGQ-MDMQIMBFSA-N 144.126 -1.742 0 30 AAAC OC(O)C1O[C@@H](O)[C@H](O)O1 116667653 YQHKPULJSWMBDF-PWNYCUMCSA-N 152.102 -2.693 0 30 AAAC COC(=O)CC1(N)CS(=O)(=O)C1 213689762 YLJOPZPSLKUNMW-UHFFFAOYSA-N 193.224 -1.325 0 30 AAAC O=C(O)B[C@@](O)(CC(=O)O)C(=O)O 263584528 VQDDBHBYZNUJIM-RXMQYKEDSA-N 189.916 -1.651 0 30 AAAC NC(=O)[C@@H]1NC(=O)NC1=O 1644968 FJCLSLJIRFXGHB-SFOWXEAESA-N 143.102 -2.320 0 30 AAAC in-vitro CC(=O)[C@@H](NC=O)C(N)=O 39069327 OJYVJEFROCGLHP-SCSAIBSYSA-N 144.130 -1.825 0 30 AAAC COC(=O)C[C@H]1NC(=O)CNC1=O 39115199 FNJRVMKCXNKPKH-SCSAIBSYSA-N 186.167 -1.836 0 30 AAAC CN1C(=O)[C@@H]2NCN[C@H]2N(C)C1=O 209354496 UBNFVIOYSNCMBL-UHNVWZDZSA-N 184.199 -1.645 0 30 AAAC CN(C)C(=O)[C@@](C)(O)CO 34539940 XBOXMDUNPDHQFV-LURJTMIESA-N 147.174 -1.182 0 30 AAAC NC1=NNC(=O)[C@@H]1N 104645837 PZQUSVQXQJZMJH-PVQJCKRUSA-N 114.108 -2.284 0 30 AAAC N[C@@H]1NCN[C@H]2NCN[C@@H]12 585662953 GXSFTOWUOAUHIE-VPENINKCSA-N 143.194 -2.734 0 30 AAAC OC[C@@]1(O)[C@H](O)C=CC[C@H]1O 2265351925 NVRMXAXNRULAJX-FSDSQADBSA-N 160.169 -1.609 0 30 AAAC N[C@H](CCOCCO)C(=O)O 700375672 PCAVPUDANZEGGH-RXMQYKEDSA-N 163.173 -1.203 0 30 AAAC CN1CCO[C@H](C(=O)O)C1=O 59480132 OZCSEBGJECAUHS-BYPYZUCNSA-N 159.141 -1.072 0 30 AAAC NC(=O)[C@]1(O)C[C@@H](O)[C@H]2O[C@H]21 39065393 VGIKXTUKWRFBDL-HCRRSRSNSA-N 159.141 -2.265 0 30 AAAC NC1=N[C@@H](O)N=CN1 44075678 OOGSYSVTFDRODC-VKHMYHEASA-N 114.108 -1.792 0 30 AAAC Nc1oc2c(N)[n+]([O-])n(O)c2c1O 141653894 AWTGSWMQXIFNES-UHFFFAOYSA-N 186.127 -1.025 0 30 AAAC CC(=O)[C@H]1C(=O)CNC1=O 104600997 KBEZSONORPLPSB-YFKPBYRVSA-N 141.126 -1.110 0 30 AAAC in-vitro OC[C@@H]1C[C@H](O)[C@@H](O)[C@@H](O)O1 5851312 HDEMQQHXNOJATE-AZGQCCRYSA-N 164.157 -2.192 0 30 AAAC in-vivo COC(=O)COS(=O)(=O)O 104403292 OYIZKWLVWNXOBT-UHFFFAOYSA-N 170.142 -1.021 0 30 AAAC C[C@H](CN)NCCO 19367530 QLSQYTKEUVPIJA-RXMQYKEDSA-N 118.180 -1.085 0 30 AAAC N[C@H](CO)CN1CCCC1=O 108284369 XQZCEVSKKMMWKG-LURJTMIESA-N 158.201 -1.072 0 30 AAAC NC[C@H](O)Cn1ccnn1 143170167 MJOYNKBCVVNDCM-YFKPBYRVSA-N 142.162 -1.402 0 30 AAAC NC(=O)NC(=O)C(N)=O 1845964 QKVYYYORISFLAF-UHFFFAOYSA-N 131.091 -2.333 0 30 AAAC OCC[C@@H]1NCCN[C@H]1CCO 39113923 NINGMGSDVHJZHQ-YUMQZZPRSA-N 174.244 -1.319 0 30 AAAC NCCNCCNC(=O)O 22589764 ZUBOWBHHVKFYFL-UHFFFAOYSA-N 147.178 -1.198 0 30 AAAC N[C@H]1CN[C@H](CO)C[C@@H]1O 59159285 UFVFQDLZEGVVJV-ZLUOBGJFSA-N 146.190 -1.971 0 30 AAAC CNC1=NC(N)=C2NCCN=C2N1 39114546 MPJGSEOZOYGCFC-UHFFFAOYSA-N 180.215 -1.706 0 30 AAAC CN(C[C@H](O)CO)N=O 5965719 YHOZMWRNWDWYKJ-BYPYZUCNSA-N 134.135 -1.047 0 30 AAAC NC(=O)CC(O)(CC(N)=O)C(N)=O 1846016 MPQPXMRGNQJXGO-UHFFFAOYSA-N 189.171 -3.046 0 30 AAAC OC[C@@H]1NC[C@@H]2CNC[C@H]21 197586711 HQMJWVCANIVKHA-XVMARJQXSA-N 142.202 -1.214 0 30 AAAC N[C@H](CO)c1nc[nH]n1 42040945 DLDMLDYBQNQUIB-GSVOUGTGSA-N 128.135 -1.203 0 30 AAAC OC[C@@H]1NNC[C@H](O)[C@H]1O 34478686 PPPMSBCQTLJPKM-YUPRTTJUSA-N 148.162 -2.823 0 30 AAAC N[C@@H]1CCC[C@H]2C(=O)NNC(=O)[C@@H]12 575447514 CKIYNDXCWOQCIL-HSUXUTPPSA-N 183.211 -1.109 0 30 AAAC O=C1CN2C(=O)CCN[C@H]2CN1 39113670 CYCRMTFRHLQFIV-RXMQYKEDSA-N 169.184 -1.736 0 30 AAAC NC(=O)[C@@]1(N)CCOC1 82427125 UYZGJJIHZKHDTQ-RXMQYKEDSA-N 130.147 -1.411 0 30 AAAC CN1CCN(C(=O)CON)CC1 39113879 SQXBYDMOHGJMPO-UHFFFAOYSA-N 173.216 -1.349 0 30 AAAC COCC(=O)NCCO 39238136 LRXARNDIKHFHBR-UHFFFAOYSA-N 133.147 -1.259 0 30 AAAC COC(=O)N1CCN(B(O)O)CC1 197989411 JPQLFRIZJGZKHZ-UHFFFAOYSA-N 187.992 -1.660 0 30 AAAC NCC[C@H](F)C[C@@H](N)C(N)=O 39136182 VLENTJMBSBOGOI-CRCLSJGQSA-N 163.196 -1.124 0 30 AAAC C[C@@H]1CN(C=O)[C@H](O)[C@@H](O)N1C=O 238805054 SAYDIOJUYWQANF-FSDSQADBSA-N 188.183 -2.058 0 30 AAAC CN1C(=O)N[C@@H](N)[C@H](N)C1=O 39136917 WICFJCRSEXZDDK-STHAYSLISA-N 158.161 -2.220 0 30 AAAC COC(=O)c1nnn(C)n1 39087414 LYKWYPMQIVQQMA-UHFFFAOYSA-N 142.118 -1.003 0 30 AAAC CN(C)C(=O)[C@@H]1C[C@H](O)CN1 20434467 ZOHZTBXVKULCNB-WDSKDSINSA-N 158.201 -1.203 0 30 AAAC Nc1cc(S(N)(=O)=O)cnc1N 19929645 ZAVFTRYEIVJSFW-UHFFFAOYSA-N 188.212 -1.107 0 30 AAAC NC1=C[C@@](N)(Cl)NC(N)=N1 104394446 IMRDTLDXMGRZLQ-BYPYZUCNSA-N 161.596 -1.444 0 30 AAAC O=C(O)[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O 12501434 AEMOLEFTQBMNLQ-LHGYGUSFSA-N 194.139 -3.129 0 30 AAAC in-vitro C[S@](=O)C[C@H](O)CN 150027995 CRSZGRDBSPUNJM-SPGJFGJESA-N 137.204 -1.316 0 30 AAAC N[C@@H]1C=C[C@@H](O)[C@H](O)[C@@H]1O 40540350 RAJLHDDMNNFKNT-KAZBKCHUSA-N 145.158 -2.034 0 30 AAAC NC(=O)C[C@]1(O)CCCNC1 215369758 SWDRNQMYXZGQHI-SSDOTTSWSA-N 158.201 -1.024 0 30 AAAC COC[C@H](ON)C(=O)O 232391587 FADTZCJSZDBCPF-VKHMYHEASA-N 135.119 -1.024 0 30 AAAC N[C@H]1CC[C@@H](O)[C@@H](O)[C@@H]1O 39074140 KNVMFXZHRNXRRT-SLPGGIOYSA-N 147.174 -1.810 0 30 AAAC C1CN[C@H]([C@H]2CNCCN2)CN1 39113764 AGUZDVQPUZKYPV-OCAPTIKFSA-N 170.260 -1.891 0 30 AAAC OCC[C@H]1NCCN[C@@H]1CCO 39113924 NINGMGSDVHJZHQ-HTQZYQBOSA-N 174.244 -1.319 0 30 AAAC O=C1NNC(=O)[C@@H]2C[C@@H]12 100248943 JUDZQAANDBTZIQ-PWNYCUMCSA-N 126.115 -1.217 0 30 AAAC CC(=O)N[C@@H]1C[C@H](CO)[C@H](O)[C@@H]1O 4963869 KJFMWZCEHSQWQV-OOJXKGFFSA-N 189.211 -1.775 0 30 AAAC O=S1(=O)N=C2NCCNC2=N1 39113936 PROXVDPPCVJEIB-UHFFFAOYSA-N 174.185 -1.765 0 30 AAAC NC(=O)[C@H](O)CC(=O)O 95347908 LBHSPGVVTCCSOH-UWTATZPHSA-N 133.103 -1.693 0 30 AAAC in-vitro CC(=O)N[C@H]1C(=O)O[C@@H](CO)[C@@H]1O 13544264 SFSOCLFOPIFBBR-JKUQZMGJSA-N 189.167 -2.230 0 30 AAAC NCC(=O)Nc1nccnn1 123876506 KCEZWZVNHYRSIP-UHFFFAOYSA-N 153.145 -1.231 0 30 AAAC O=C1N[C@@H](O)[C@@H](O)N1CO 5178898 SYPNXFTUXUIACQ-STHAYSLISA-N 148.118 -2.402 0 30 AAAC NS(=O)(=O)C[C@H]1CNCCO1 238600020 PWAYXKWGDMEGHU-RXMQYKEDSA-N 180.229 -1.737 0 30 AAAC O=C1O[C@H]([C@@H](O)CO)C[C@H]1O 17148618 NSEFGBGANVMEIR-WISUUJSJSA-N 162.141 -1.984 0 30 AAAC OC[C@H]1C[C@@H](O)[C@H](O)O1 13436366 ZUYIBYOYYUXIGY-UOWFLXDJSA-N 134.131 -1.553 0 30 AAAC NCCn1oc(=O)nc1O 26895621 LIPCXBVXQUFCSC-UHFFFAOYSA-N 145.118 -1.499 0 30 AAAC C[C@H]1NNC[C@@H](O)[C@@H]1O 34617588 SFWAQASNOSFXTF-UOWFLXDJSA-N 132.163 -1.796 0 30 AAAC CNCC1(O)CN(C)C1 2265385507 CPBAGRKUKYEINP-UHFFFAOYSA-N 130.191 -1.118 0 30 AAAC C[C@H]1NC(=O)[C@H]2C[C@H](O)CN2C1=O 13413527 JBVUOARNEYAAOS-NGJCXOISSA-N 184.195 -1.534 0 30 AAAC N=C(N)NCP(=O)(O)O 5411154 MAAFMNFCKWEWLO-UHFFFAOYSA-N 153.078 -1.395 0 30 AAAC C[C@H](N)C(=O)OC[C@H](O)CO 39072947 XFGOYBHCRRBKHR-CRCLSJGQSA-N 163.173 -1.770 0 30 AAAC CN1CCN(CC[C@@H](O)CO)CC1 39115321 NFOPFURNJJEVPZ-SECBINFHSA-N 188.271 -1.023 0 30 AAAC NC1=N[C@H](O)N=CN1 44075675 OOGSYSVTFDRODC-GSVOUGTGSA-N 114.108 -1.792 0 30 AAAC CC1(C)CN(O)[C@@H](C(N)=O)CN1 39113885 PHJIFTVHBTUUCQ-RXMQYKEDSA-N 173.216 -1.087 0 30 AAAC O=C1NC(=O)c2[nH]c(=O)c(O)nc21 39114307 JCQFLMWRKBYHKH-UHFFFAOYSA-N 181.107 -1.641 0 30 AAAC CC(=O)Nn1cc(F)c(=O)[nH]c1=O 39125829 YCOVOIDNPFNHIA-UHFFFAOYSA-N 187.130 -1.234 0 30 AAAC Cn1nnc([S@](=O)O)n1 950757375 XZHSKWWPFPSMHV-UHFFFAOYSA-N 148.147 -1.209 0 30 AAAC C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO 1577099 SKCKOFZKJLZSFA-KAZBKCHUSA-N 166.173 -2.558 0 30 AAAC N[C@@H](Cn1ncnn1)C(=O)O 2511789 PBUXSPZZJMCMSU-VKHMYHEASA-N 157.133 -1.915 0 30 AAAC COC(=O)Cn1cc(CCN)nn1 72155071 HFLQJDIIWBWCKY-UHFFFAOYSA-N 184.199 -1.048 0 30 AAAC CO[C@@]12C[C@H](CN)O[C@H]1NC(=O)N2 223508746 ZQUVIMMCBFDKQI-XAHCXIQSSA-N 187.199 -1.284 0 30 AAAC O=C(O)[C@H]1NC[C@@H](O)[C@H]1O 15116093 HWNGLKPRXKKTPK-FLRLBIABSA-N 147.130 -2.235 0 30 AAAC CN1CCN(CC(=O)O)CC1=O 78676145 ZELKCQNCMNDBLX-UHFFFAOYSA-N 172.184 -1.155 0 30 AAAC in-vitro O=C(NCO)OCCO 5178820 NHWYGOGAJKUGIY-UHFFFAOYSA-N 135.119 -1.345 0 30 AAAC CC(=O)N(C=O)CN(C=O)C(C)=O 5196725 KHDWSPPUGCOVPL-UHFFFAOYSA-N 186.167 -1.046 0 30 AAAC Nc1c[n+]([O-])cc(CO)n1 39060927 GWIBYQFDLOHRLL-UHFFFAOYSA-N 141.130 -1.211 0 30 AAAC NN1CCNC1=O 5134060 DHIVBEZCBBHIPZ-UHFFFAOYSA-N 101.109 -1.115 0 30 AAAC in-vitro O=C(O)[C@H](O)C[C@H](O)[C@H](O)CO 12502656 YGMNHEPVTNXLLS-VPENINKCSA-N 180.156 -2.464 0 30 AAAC biogenic OCC[C@@H]1NCCN[C@@H]1CCO 39113922 NINGMGSDVHJZHQ-OCAPTIKFSA-N 174.244 -1.319 0 30 AAAC NNCCNCCO 39643926 GIFIYDUDNBESHK-UHFFFAOYSA-N 119.168 -1.968 0 30 AAAC N#CN(CO)C(=N)N 31361870 AJNGGICLMPCMAQ-UHFFFAOYSA-N 114.108 -1.387 0 30 AAAC O=C(O)C[C@@H]1CNCC(=O)N1 83269143 HMOKSCKVFPVTKZ-SCSAIBSYSA-N 158.157 -1.451 0 30 AAAC O=C(O)C[C@H](NO)C(=O)O 13515317 YDBVAWZTOAZPTJ-REOHCLBHSA-N 149.102 -1.107 0 30 AAAC in-vitro NCC(=O)N[C@@H]1CONC1=O 39067759 LHGIZPQIVKOLPV-GSVOUGTGSA-N 159.145 -2.509 0 30 AAAC NCCCN1C[C@@H](O)[C@H](O)C1 38363019 PWMSUVBQCZVVBB-RNFRBKRXSA-N 160.217 -1.627 0 30 AAAC NC(=O)N1C(=O)N[C@H](O)[C@@H]1O 39065597 BXMBZPJCUFAAEX-NCGGTJAESA-N 161.117 -2.273 0 30 AAAC C[C@H]1O[C@H](O)[C@@H](O)C[C@@H]1O 6488820 KYPWIZMAJMNPMJ-VANKVMQKSA-N 148.158 -1.165 0 30 AAAC in-vivo CN1C(=O)C(=O)N[C@H]2N=CN=C[C@@H]21 96336356 LJZUNCZQSQESRP-CRCLSJGQSA-N 180.167 -1.618 0 30 AAAC OCCN1CN=C(S)N(CO)C1 33650283 CRVHHINBIZCGLC-UHFFFAOYSA-N 191.256 -1.253 0 30 AAAC O=C(O)[C@@H](O)[C@H]1O[C@H](O)[C@H](O)[C@H]1O 5783662 OEVWLAOZEALENB-CLQWQSTFSA-N 194.139 -3.129 0 30 AAAC O=C1O[C@@H]2C[C@@]1(O)C=C[C@H]2O 39059826 CONGMTFRHMNXEP-XAHCXIQSSA-N 156.137 -1.036 0 30 AAAC CC(C)[C@H]1NS(=O)(=O)NC1=O 143594347 ARGDYBLGWYGDMM-SCSAIBSYSA-N 178.213 -1.025 0 30 AAAC COCC(COC)S(N)(=O)=O 385393645 TXZCLYIEOHWEDD-UHFFFAOYSA-N 183.229 -1.064 0 30 AAAC O=C1N(CO)[C@@H](O)[C@@H](O)N1CO 21992154 ZEYUSQVGRCPBPG-ZXZARUISSA-N 178.144 -2.740 0 30 AAAC NC(=O)C[C@@H]1CNC[C@H]1O 215395199 WDAUBFRYDSMPCJ-RFZPGFLSSA-N 144.174 -1.558 0 30 AAAC O=C1NCC2(COC2)N[C@@H]1CO 584883941 DZDBPWWHJJOHFV-RXMQYKEDSA-N 172.184 -2.164 0 30 AAAC CN(C)CC(=O)NCO 39077982 UROLZPDVAVUIBL-UHFFFAOYSA-N 132.163 -1.386 0 30 AAAC NCCCOC[C@@H](O)CO 43163771 LCTPWIYQTIJTQU-LURJTMIESA-N 149.190 -1.295 0 30 AAAC CS(=O)(=O)C1(C(=O)O)CC(N)C1 2265384750 UCNCJWAVPCQUCI-UHFFFAOYSA-N 193.224 -1.025 0 30 AAAC CC(C)OC(=O)[C@@H](O)[C@H](O)C(=O)O 2539190 SSZYZSRPAKZEIB-WHFBIAKZSA-N 192.167 -1.256 0 30 AAAC OCC1(CO)COCCO1 115633669 NLFWEUMPRZNBCL-UHFFFAOYSA-N 148.158 -1.243 0 30 AAAC C[C@H](O)CS(N)(=O)=O 39477801 KPXNQHAHVGBVBI-VKHMYHEASA-N 139.176 -1.344 0 30 AAAC O=C1NCN[C@@H]2NCN[C@@H]12 207959114 XLZVGCGLPLUGGX-DMTCNVIQSA-N 142.162 -2.492 0 30 AAAC CC(=O)N[C@H](CO)CCO 104697462 VKDCMMRGVMTEOS-LURJTMIESA-N 147.174 -1.134 0 30 AAAC COC(=O)CN1C=CNN1 2265356103 XRLLGOBMHNCSLE-UHFFFAOYSA-N 143.146 -1.045 0 30 AAAC CCOC(=O)[C@@H](O)[C@@H](O)C(=O)O 5857485 ZUDZWKJBYZAGBS-DMTCNVIQSA-N 178.140 -1.644 0 30 AAAC NN1C(=O)CNC1=O 6613373 DCROTKUJYXYESN-UHFFFAOYSA-N 115.092 -1.588 0 30 AAAC in-vitro CC(C)OC(=O)[C@@H](O)[C@@H](O)C(=O)O 136711549 SSZYZSRPAKZEIB-UHNVWZDZSA-N 192.167 -1.256 0 30 AAAC C[C@]12NCCN3CCN(CCN1)[C@@H]32 2265357464 WVMTVJMOBYVFMA-DTORHVGOSA-N 182.271 -1.147 0 30 AAAC NC[C@H]1CNCCN1 22816713 WNUMKDXJNNTPIU-YFKPBYRVSA-N 115.180 -1.494 0 30 AAAC NC1=C[C@](N)(Cl)NC(N)=N1 104394445 IMRDTLDXMGRZLQ-SCSAIBSYSA-N 161.596 -1.444 0 30 AAAC N[C@H](Cc1c[nH]oc1=O)C(=O)O 1492528 LVNJBTYSYFSYFG-SCSAIBSYSA-N 172.140 -1.078 0 30 AAAC OC[C@@H]1[C@H](O)[C@H](O)[C@@H]2[C@H](O)CCN21 43419392 AIQMLBKBQCVDEY-QQGCVABSSA-N 189.211 -2.482 0 30 AAAC biogenic NC(=O)NC(=O)NC(=O)C(N)=O 33605916 XYISUGIJDGQPCY-UHFFFAOYSA-N 174.116 -2.624 0 30 AAAC CN(CCN)CCOCCO 41055430 BTCKKHFSYWVSHA-UHFFFAOYSA-N 162.233 -1.114 0 30 AAAC NC1=NC(=O)C2=N[C@H](O)CNC2=N1 39114294 IMJHAYLWSHODBV-UWTATZPHSA-N 181.155 -2.398 0 30 AAAC O=C1NC(=O)C2(CC(O)C2)N1 307044018 NOKNONYGPMTGOQ-UHFFFAOYSA-N 156.141 -1.281 0 30 AAAC N[C@@]1(C(=O)O)C[C@@H]1CO 6158192 ZPCQSJYTXRPREU-WUJLRWPWSA-N 131.131 -1.219 0 30 AAAC NCC(=O)N1CCCN1 39095926 GLTFNMULINRHLH-UHFFFAOYSA-N 129.163 -1.318 0 30 AAAC O=C1OC[C@@H]2[C@H](O)[C@H](O)CN12 39081222 SCIJVPBIFGTJAF-WDCZJNDASA-N 159.141 -1.457 0 30 AAAC C[C@H](CN)S(N)(=O)=O 82631470 LQVAQUHURBYBSG-GSVOUGTGSA-N 138.192 -1.378 0 30 AAAC in-vitro NC[C@@H](N)CCO 34283507 WIYMETYMVDXKRR-BYPYZUCNSA-N 104.153 -1.345 0 30 AAAC CN1C(=O)N[C@H](N)[C@H](N)C1=O 39136919 WICFJCRSEXZDDK-HRFVKAFMSA-N 158.161 -2.220 0 30 AAAC CNC(=O)NC[C@H]1CNCCO1 125161340 SLWJHEACBIPHFA-ZCFIWIBFSA-N 173.216 -1.096 0 30 AAAC in-vitro NC(=S)NCCO 5501778 IPSVDERFJPMANL-UHFFFAOYSA-N 120.177 -1.188 0 30 AAAC CNS(=O)(=O)C1CNC1 258102036 XXZYVWUBYWEWGI-UHFFFAOYSA-N 150.203 -1.493 0 30 AAAC O=C1O[C@H]2[C@@H](O[C@H](O)[C@@H]2O)[C@@H]1O 13828144 OGLCQHRZUSEXNB-RDTVTQLWSA-N 176.124 -2.649 0 30 AAAC in-vitro O=S1(=O)CCNOCC1 756957709 ABZPDSIGOVNSGV-UHFFFAOYSA-N 151.187 -1.064 0 30 AAAC OC[C@@H]1C[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O 1556503 TVKYRGWJELUGNG-ZYNSJIGGSA-N 178.184 -2.558 0 30 AAAC O=C1Nc2c[nH]c(=O)nc2N[C@@H]1O 32203242 PHMWRCYNACXJTG-RXMQYKEDSA-N 182.139 -1.548 0 30 AAAC CNC(=O)CNCC(=O)NC 34309072 KVJUDCHMRDCBMY-UHFFFAOYSA-N 159.189 -1.932 0 30 AAAC NC(=O)CCNC(=O)C(=O)O 36748891 BKBGFROWRNXHBX-UHFFFAOYSA-N 160.129 -1.937 0 30 AAAC in-vitro OC[C@H](O)C(O)(CO)CO 5131770 SDXWEZQDLHNYFR-BYPYZUCNSA-N 152.146 -2.945 0 30 AAAC endogenous,in-man C[C@H]1NC(=O)C[C@@H](C(=O)O)N1 39058061 FJXPASICOZWLOK-DMTCNVIQSA-N 158.157 -1.105 0 30 AAAC COC(=O)CN[C@H]1CC(=O)NC1=O 36853419 HLRMLOMCTUNDRT-BYPYZUCNSA-N 186.167 -1.836 0 30 AAAC C[C@H]1CN=c2nc(N)[nH]c(=O)c2=N1 13512228 QARNTSWBYSPKTL-VKHMYHEASA-N 179.183 -2.007 0 30 AAAC CN1CCN(C(=N)N(C)N)CC1 39113689 CNRYLDCBJAHEPU-UHFFFAOYSA-N 171.248 -1.026 0 30 AAAC NS(=O)(=O)N1CCC(O)CC1 39053981 FWUKYPWNFQHKEU-UHFFFAOYSA-N 180.229 -1.353 0 30 AAAC in-vitro C1NN[C@@H]2[C@H]1[C@@H]1CN[C@H]12 256604780 WEPFXYDJQOSLPB-SLPGGIOYSA-N 125.175 -1.319 0 30 AAAC COC(=O)[C@@H]1C[C@H](N)[C@@H](O)[C@H]1O 1585598 DTTVJFYENZGXEP-DPYQTVNSSA-N 175.184 -1.772 0 30 AAAC C[C@@H](O)CNCCNCCN 19360526 TYJJJZBLPWLKNN-SSDOTTSWSA-N 161.249 -1.495 0 30 AAAC COC(=O)CNS(=O)(=O)CCN 722226388 LLRJCTIUBXUSBV-UHFFFAOYSA-N 196.228 -1.963 0 30 AAAC NC(=O)C1(O)COC1 95627293 KVKRRVJMKMVPTA-UHFFFAOYSA-N 117.104 -1.767 0 30 AAAC NC(=O)CC1(N)CCNCC1 84329234 IODRMUNIQGEULJ-UHFFFAOYSA-N 157.217 -1.057 0 30 AAAC C[C@H](O)[C@](N)(CCN)C(=O)O 307559724 WMKCSJHGWNOGBF-UJURSFKZSA-N 162.189 -1.502 0 30 AAAC NS(=O)(=O)NC[C@H]1CCCCN1 12506585 YFDNSOTZYQZYQP-ZCFIWIBFSA-N 193.272 -1.078 0 30 AAAC N[C@@H](CNC(=O)C=O)C(=O)O 196182966 BBAWQHOBKZYZIH-VKHMYHEASA-N 160.129 -2.287 0 30 AAAC N[C@H](C(=O)O)C(C(=O)O)C(=O)O 5131703 OQFSQFPPLPISGP-REOHCLBHSA-N 177.112 -1.816 0 30 AAAC C[C@@H]1CNCC(O)(O)[C@@H]1O 39059037 CNJGTLSEVZZBMQ-RFZPGFLSSA-N 147.174 -1.733 0 30 AAAC O=C1C[S@](=O)CCN1 40544503 PTNKLPDOKOAQFQ-QMMMGPOBSA-N 133.172 -1.135 0 30 AAAC in-vitro CC(=O)[C@@H](O)[C@H](O)C(C)=O 104798551 RQDWELNLPMBYMA-PHDIDXHHSA-N 146.142 -1.114 0 30 AAAC N[C@@H]1C[C@H](CO)NC1=O 215038950 WYZFWCBQXQXNDS-QWWZWVQMSA-N 130.147 -1.806 0 30 AAAC COC(=O)N1CC(=O)NCC1=O 39113868 OEHKZSGCTQERHR-UHFFFAOYSA-N 172.140 -1.289 0 30 AAAC NCC[C@H](N)C(=O)N1CCNCC1 13529538 WRBYJQJHVAKNBW-ZETCQYMHSA-N 186.259 -1.906 0 30 AAAC COC[C@H](N)C(N)=O 45507028 NAAMIKBWSCMFTC-VKHMYHEASA-N 118.136 -1.555 0 30 AAAC in-vitro O=C(NCCO)[C@H]1CNCCN1 84928273 QKKWUENYWLFYAC-ZCFIWIBFSA-N 173.216 -2.344 0 30 AAAC CO[C@H]1O[C@H](CO)C[C@@H](O)[C@@H]1O 101650014 ARNZRNVPEASSLV-VZFHVOOUSA-N 178.184 -1.538 0 30 AAAC N[C@@H]1CNC[C@H]1N 39118123 WCOQAGPRGRKKLM-QWWZWVQMSA-N 101.153 -1.756 0 30 AAAC in-vitro C[C@@H]1[C@@H](C(=O)O)[C@H](O)C(=O)N1C 669371566 HCYHZGDPSAJBAK-WDCZJNDASA-N 173.168 -1.091 0 30 AAAC O=C(CO)C[C@H](O)[C@H](O)CO 100769745 OXFWZSUJNURRMW-NTSWFWBYSA-N 164.157 -2.348 0 30 AAAC endogenous,in-man O=C(O)C1(CS(=O)(=O)O)COC1 688924501 VMWFQDGZNQQLFS-UHFFFAOYSA-N 196.180 -1.025 0 30 AAAC O=C1CN(CCCO)C(=O)N1 59946688 SVLJYOGDIBNDKB-UHFFFAOYSA-N 158.157 -1.079 0 30 AAAC O=CN(C=O)C=O 6731771 PFBAGGWJGZAGCG-UHFFFAOYSA-N 101.061 -1.242 0 30 AAAC NCCc1cc(=O)[nH]c(=O)[nH]1 44397890 JJIRVHQXOLYDNN-UHFFFAOYSA-N 155.157 -1.436 0 30 AAAC NC1=NC(=O)[C@H](N)C(=O)N1 3581161 XSDUIRFHCZLNFF-UHFFFAOYSA-N 142.118 -2.715 0 30 AAAC N[C@@H]1[C@H](O)CO[C@@H](O)[C@H]1O 13349490 RWBZBZPUFHHHCU-SQOUGZDYSA-N 149.146 -2.616 0 30 AAAC Oc1nc2nonc2n2nnnc12 13509872 OPLJDCUJKPVHNN-UHFFFAOYSA-N 179.099 -1.239 0 30 AAAC CS(=O)(=O)CCNN 37935192 ZSIMMITZFDMUQK-UHFFFAOYSA-N 138.192 -1.506 0 30 AAAC in-vitro N[C@@H](CCc1nnn[nH]1)C(=O)O 27526940 DXFDIQNGJWQJGA-VKHMYHEASA-N 171.160 -1.456 0 30 AAAC N[C@@H]1[C@@H](C(=O)O)NC[C@H]1O 95923279 GKCPJCKRVBIJKM-UZBSEBFBSA-N 146.146 -2.269 0 30 AAAC CNC(=O)CNC[C@H](C)NC(C)=O 39125817 PHVIQRQQDJCZQK-LURJTMIESA-N 187.243 -1.153 0 30 AAAC N[C@]12C(=O)O[C@@H]([C@H]1O)[C@H](O)[C@H]2O 263589787 RSYKIKAAVPPJOK-IJAWEHMJSA-N 175.140 -3.294 0 30 AAAC OC[C@@H]1NCC[C@@H](O)[C@H]1O 33671247 YZNNBIPIQWYLDM-JKUQZMGJSA-N 147.174 -1.938 0 30 AAAC endogenous,in-man CN1CCN(NC(N)=O)CC1 39113601 VOUDNGYMQLJSJF-UHFFFAOYSA-N 158.205 -1.183 0 30 AAAC CO[C@H]1[C@@H](O)N(CO)C(=O)N1CO 5732185 DDTMTHCUKRELBA-UHNVWZDZSA-N 192.171 -2.086 0 30 AAAC CNCN(C=O)C(N)=S 39079713 UGSCKFDDKHSKQV-UHFFFAOYSA-N 147.203 -1.135 0 30 AAAC O[C@@H]1CN[C@H]2COC[C@@H]12 107454615 ZKKAMNCENFWWKC-NGJCXOISSA-N 129.159 -1.035 0 30 AAAC OC[C@H](O)CN1CC[C@H](O)C1 133719632 LVNHFJFINQPLPD-NKWVEPMBSA-N 161.201 -1.594 0 30 AAAC OC[C@@H]1NCC[C@H](O)[C@H]1O 899008 YZNNBIPIQWYLDM-ZLUOBGJFSA-N 147.174 -1.938 0 30 AAAC endogenous,in-man N[C@@H](CO)C(=O)NCCC(=O)O 2522590 IZDRKBSVWYKCQR-BYPYZUCNSA-N 176.172 -2.103 0 30 AAAC OC[C@@H]1CN[C@H](CO)C1 221662244 IFOUUUVIVGFWGY-WDSKDSINSA-N 131.175 -1.051 0 30 AAAC CNC[C@H](O)CN 34165483 KLYMOBVXBBPTGW-SCSAIBSYSA-N 104.153 -1.475 0 30 AAAC in-vitro CNS(=O)(=O)CCCO 58517639 GOIIZEUQDVMVCC-UHFFFAOYSA-N 153.203 -1.082 0 30 AAAC C=C1NC(=O)[C@@H](CN2CC2)NC1=O 39114300 DASYOBYZSFHRHS-ZCFIWIBFSA-N 181.195 -1.570 0 30 AAAC CCNC[C@@H](O)CN1CCNCC1 39115235 AUYSZMZTVYOPBN-SECBINFHSA-N 187.287 -1.138 0 30 AAAC C1CN[C@@H]([C@H]2CNCCN2)CN1 39113765 AGUZDVQPUZKYPV-HTQZYQBOSA-N 170.260 -1.891 0 30 AAAC CN1CCN(C(=S)NN)CC1 39113904 JNGXJKJTJUBQSH-UHFFFAOYSA-N 174.273 -1.018 0 30 AAAC NCC[C@@H](O)C[C@H](N)C(=O)O 5113470 ASYBZHICIMVQII-UHNVWZDZSA-N 162.189 -1.502 0 30 AAAC in-vitro O=C1NCCN2C[C@H](O)C[C@@H]12 39113567 JQCSFFVNZWKQOP-RITPCOANSA-N 156.185 -1.449 0 30 AAAC O[C@H]1C[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O 100736711 IMPKVMRTXBRHRB-GNFDWLABSA-N 164.157 -2.805 0 30 AAAC in-vitro N[C@@H]1CCS(=O)(=O)[C@H](C(=O)O)C1 257888545 WPZVIQKTBVRXTE-UHNVWZDZSA-N 193.224 -1.025 0 30 AAAC Nn1cnc(C(=O)O)n1 95923206 GWWJHQADLZHJFV-UHFFFAOYSA-N 128.091 -1.310 0 30 AAAC NC[C@@H]1CN1 22590730 AEXCVBXGIHNPIK-GSVOUGTGSA-N 72.111 -1.083 0 30 AAAC CNC(=O)CNC(=S)NN 37225005 ZENDPLXNHYMGBA-UHFFFAOYSA-N 162.218 -1.930 0 30 AAAC in-vitro CN[C@H]1C(=O)N=CNC1=O 39052625 WMUHOYUOLJBQMC-UHFFFAOYSA-N 141.130 -1.741 0 30 AAAC N[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1O 4102408 BQCCAEOLPYCBAE-AIECOIEWSA-N 179.172 -3.255 0 30 AAAC in-vitro NC(=O)c1nnc(O)nc1O 39437869 CBMHAOUAWFJPHF-UHFFFAOYSA-N 156.101 -1.618 0 30 AAAC CN(CCO)CCN(C)CCO 60193026 ASXVBPCMXXZYHO-UHFFFAOYSA-N 176.260 -1.165 0 30 AAAC CO[C@H]1NC(=O)[C@@H](OC)NC1=O 39113933 ILLBJQKCRGNJDY-PHDIDXHHSA-N 174.156 -1.823 0 30 AAAC CN[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 39415087 HJFJVGRAUAAGDP-XUUWZHRGSA-N 193.199 -2.994 0 30 AAAC NC(=O)[C@H](N)[C@@H]1CCS(=O)(=O)C1 83144848 OZDYUKHEKUIDDO-RFZPGFLSSA-N 192.240 -1.766 0 30 AAAC CC(=O)N(C)[C@@H](CO)C(=O)O 39058251 SPWLLTVIZKVQJG-YFKPBYRVSA-N 161.157 -1.090 0 30 AAAC NCCNC[C@@H]1CNCCN1 39113612 OFALRSMVQSPQCA-SSDOTTSWSA-N 158.249 -1.904 0 30 AAAC OC[C@H]1C[C@H](CO)N1 118514300 RVXDNESKZYUPKO-RFZPGFLSSA-N 117.148 -1.299 0 30 AAAC COC(=O)C(CN)C(=O)OC 146159471 RHWJSPABDYHOBF-UHFFFAOYSA-N 161.157 -1.093 0 30 AAAC CO[C@@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@H]1O 96331789 ZSQBOIUCEISYSW-NYMZXIIRSA-N 194.183 -2.567 0 30 AAAC COC(=O)CNC(=O)[C@@H](C)O 39058234 UVXPEBUDYTWIPG-SCSAIBSYSA-N 161.157 -1.344 0 30 AAAC OC1CNNC1 62714978 RPHNCVUQQDZKLE-UHFFFAOYSA-N 88.110 -1.545 0 30 AAAC COC(=O)[C@H]1CNC[C@H]1O 83267958 HBMQZGBGMKXGBN-CRCLSJGQSA-N 145.158 -1.260 0 30 AAAC O=S1(=O)NC[C@@H]2CNC[C@@H]21 140614662 WAAHHQKAZGVTHU-WHFBIAKZSA-N 162.214 -1.493 0 30 AAAC NC(=O)[C@]1(CO)C[C@H]1CO 39064424 HXUKTVFRPMPONY-NJGYIYPDSA-N 145.158 -1.537 0 30 AAAC C1=c2ncncc2=NC1 95707735 NRNDZEDAFFDYIX-UHFFFAOYSA-N 119.127 -1.110 0 30 AAAC CC(=O)NCC(=O)N[C@@H](C)C(=O)O 13541808 SCVZUBLUQMMQED-BYPYZUCNSA-N 188.183 -1.288 0 30 AAAC C1NC[C@@]2(N1)NCNN2 39095237 IIFHXPGZXIXIKI-SCSAIBSYSA-N 129.167 -2.555 0 30 AAAC COCCOC(=O)N(CO)CO 2023924 SKJLIATVTKHMNL-UHFFFAOYSA-N 179.172 -1.029 0 30 AAAC Cn1c(=O)[nH]c(=O)c2[nH]c(=O)n(C)c21 6072310 HCUXKVFCFSVKHK-UHFFFAOYSA-N 196.166 -1.746 0 30 AAAC in-man C[C@@H](O)[C@H](NCCO)C(=O)O 39058372 PMJJVHJYZQKCEQ-UHNVWZDZSA-N 163.173 -1.598 0 30 AAAC OC[C@@H]1C[C@@H](O)[C@@H](O)CN1 14491275 SRFZPWAZZISKCU-JKUQZMGJSA-N 147.174 -1.938 0 30 AAAC CN(CCO)CCOCCO 5965591 DHFGYXVVIQTUSZ-UHFFFAOYSA-N 163.217 -1.081 0 30 AAAC NC(=S)NCO 33650034 CALBDOUFMLLGQH-UHFFFAOYSA-N 106.150 -1.231 0 30 AAAC NC(=O)C[C@H](O)C(=O)O 5131747 RTTYFXMXRFYCHM-REOHCLBHSA-N 133.103 -1.693 0 30 AAAC in-vitro CN1C(=O)[C@@H](O)N(C)C(=O)[C@H]1O 39113937 BMRAIUZOEQBBAN-AWFVSMACSA-N 174.156 -2.446 0 30 AAAC NCc1cnn(CCO)c1N 39135292 WGINAGCJADSXIJ-UHFFFAOYSA-N 156.189 -1.084 0 30 AAAC Nc1cc(C(=O)NCCO)[nH]n1 70646875 IBNYWGNHVRFLCM-UHFFFAOYSA-N 170.172 -1.286 0 30 AAAC O=S1(=O)CC[C@@H]2CNCCN21 75119100 BYYKMTONWNLJGJ-ZCFIWIBFSA-N 176.241 -1.006 0 30 AAAC NC(=O)c1c[nH]c(C(N)=O)n1 5595900 FNLYZIGEVXDAPF-UHFFFAOYSA-N 154.129 -1.393 0 30 AAAC OC[C@H]1CN[C@@H](CO)C1 221662345 IFOUUUVIVGFWGY-PHDIDXHHSA-N 131.175 -1.051 0 30 AAAC O=C(O)[C@@H](O)CP(=O)(O)O 5829547 CDEGTXUGFDWJAA-REOHCLBHSA-N 170.057 -1.390 0 30 AAAC CON(C)C(=O)CO 116198420 FMHHOIZBAJLSFX-UHFFFAOYSA-N 119.120 -1.002 0 30 AAAC NS(=O)(=O)Cn1nnnc1S 104370911 FINUHMXUGHMVGE-UHFFFAOYSA-N 195.229 -1.792 0 30 AAAC NC1=N[C@H]2O[C@@H](CO)[C@H](O)[C@H]2O1 1723942 IVFVSTOFYHUJRU-KLVWXMOXSA-N 174.156 -2.222 0 30 AAAC CN(CC(N)=O)C(=N)N 39077787 BRUGEBPQSDJAKT-UHFFFAOYSA-N 130.151 -1.703 0 30 AAAC CN1CC(=O)N(C)[C@@H](O)C1=O 39113636 LFSASBPDKOKOLZ-LURJTMIESA-N 158.157 -1.765 0 30 AAAC NC1=NS(=O)N=C1N 139082912 QLKJZSNKNPNUNN-UHFFFAOYSA-N 132.148 -1.707 0 30 AAAC O=c1[nH]c(O)nnc1CO 39061332 BDNQWCVSFMASIQ-UHFFFAOYSA-N 143.102 -1.637 0 30 AAAC CC(=O)N1CCN[C@@H](CO)C1 39070661 DGUZPMRLCVSJPU-SSDOTTSWSA-N 158.201 -1.201 0 30 AAAC NC(=O)CN1CC(=O)CC1=O 33609147 JPVVDKWRORWDAQ-UHFFFAOYSA-N 156.141 -1.727 0 30 AAAC C[C@H](O)CN1CCN(CCN)CC1 34165851 RIJVOTKRVIPNIZ-VIFPVBQESA-N 187.287 -1.057 0 30 AAAC CN1CCN(CCN)CC1=O 82774545 WXEPBEURAILKFS-UHFFFAOYSA-N 157.217 -1.281 0 30 AAAC in-vitro O=C(O)C[C@H]1CNCC(=O)N1 83269142 HMOKSCKVFPVTKZ-BYPYZUCNSA-N 158.157 -1.451 0 30 AAAC COC(=O)C(N)(CO)CO 238368759 AIIRPYLDRNUKEW-UHFFFAOYSA-N 149.146 -2.159 0 30 AAAC COC1(CO)CNC1 257829998 JANABEYEOJKUTR-UHFFFAOYSA-N 117.148 -1.033 0 30 AAAC OC[C@H]1O[C@H](O)[C@H](O)C[C@H]1O 5600733 RJDIFQMDPPUATQ-KAZBKCHUSA-N 164.157 -2.192 0 30 AAAC in-vitro O=C1O[C@H]([C@H](O)CO)C[C@H]1O 4691983 NSEFGBGANVMEIR-WDCZJNDASA-N 162.141 -1.984 0 30 AAAC in-vitro O=C1NNC(=O)[C@@H]2C[C@H]12 39095636 JUDZQAANDBTZIQ-WSOKHJQSSA-N 126.115 -1.217 0 30 AAAC C[C@H](O)[C@@H]1NC(=O)CNC1=O 14451350 QPENGVPAWUAJDV-UCORVYFPSA-N 158.157 -2.018 0 30 AAAC CO[C@@H]1[C@@H](O)[C@H](C)O[C@H](CO)[C@H]1O 56870836 MYGAMKAYUWZKAG-BZCSJUTBSA-N 192.211 -1.497 0 30 AAAC OC[C@@H](O)CNC[C@@H](O)CO 38613905 SAMGBMSEBPZABZ-OLQVQODUSA-N 165.189 -2.718 0 30 AAAC NC(=O)[C@@H](N)[C@H]1CCOC1 37870615 MJXBRSNXTFSIDJ-WHFBIAKZSA-N 144.174 -1.165 0 30 AAAC in-vitro COC[C@H](CO)N1CCNCC1 199985288 PGFJVAUAMJZZBT-QMMMGPOBSA-N 174.244 -1.101 0 30 AAAC NCCNC[C@H]1CNCCN1 39113613 OFALRSMVQSPQCA-ZETCQYMHSA-N 158.249 -1.904 0 30 AAAC CON(C)C(=O)CN1CCNCC1 40859635 OICDQPPQHVLASP-UHFFFAOYSA-N 187.243 -1.089 0 30 AAAC NCCOCCON 77252531 WQXKDXQERMISJX-UHFFFAOYSA-N 120.152 -1.148 0 30 AAAC CCS(=O)(=O)NC1CNC1 85256543 NURAPUHDOHRJQG-UHFFFAOYSA-N 164.230 -1.103 0 30 AAAC Cc1[nH]c(=O)n(C)c(=O)c1N 201356814 DMYXWQPNMMVHBF-UHFFFAOYSA-N 155.157 -1.036 0 30 AAAC C[C@@H]1CN[C@H]2NC(N)=NC(=O)[C@H]2N1 255974859 GRGWASDEOIBWJS-WISUUJSJSA-N 183.215 -2.293 0 30 AAAC C[C@](O)(C(=O)O)[C@H](O)C(=O)O 17487725 SUDDXMSROFLAQH-DUZGATOHSA-N 164.113 -1.733 0 30 AAAC N[C@H](C(=O)O)[C@@H]1NC(=O)C1=O 117798028 URSDAALZRFSDMA-LWMBPPNESA-N 158.113 -2.534 0 30 AAAC NC(=O)[C@@H]1NC(=O)CNC1=O 215369178 JGVRNHGDWGAHBQ-VKHMYHEASA-N 157.129 -2.914 0 30 AAAC CN1C(=O)N[C@@H](N)[C@@H](N)C1=O 39136916 WICFJCRSEXZDDK-PWNYCUMCSA-N 158.161 -2.220 0 30 AAAC O=C1NC(=O)[C@@H]2NCCC[C@@H]2N1 206482108 FAXVSJWPXNLKIO-CRCLSJGQSA-N 169.184 -1.054 0 30 AAAC Nc1cc(=O)[nH]c(CO)n1 45787278 XIJVRNUPXOYUQH-UHFFFAOYSA-N 141.130 -1.156 0 30 AAAC O=CN[C@H]1CCNC1=O 3785652 XZQFGMJAIGQKHP-BYPYZUCNSA-N 128.131 -1.379 0 30 AAAC O=C1CNCC[C@]2(CCNC2)N1 2265385453 ZRLIVBRHZNSMKG-MRVPVSSYSA-N 169.228 -1.172 0 30 AAAC NC(=O)C[C@@H](O)C(N)=O 1648988 GYNXTHOOAGYMOK-UWTATZPHSA-N 132.119 -2.292 0 30 AAAC COCN1C(=O)N(CO)[C@@H](O)[C@H]1O 5701186 KGMHAIHCEYDEIV-CRCLSJGQSA-N 192.171 -2.086 0 30 AAAC OC(O)CCC(O)O 33799320 LYGJUHQDLQALGX-UHFFFAOYSA-N 122.120 -1.612 0 30 AAAC NCC(=O)N[C@H]1CONC1=O 39067758 LHGIZPQIVKOLPV-VKHMYHEASA-N 159.145 -2.509 0 30 AAAC CN1CCN([C@H](CO)CCN)CC1 82391604 TWODBALBPXSRCT-VIFPVBQESA-N 187.287 -1.057 0 30 AAAC CNCC(=O)NCC(=O)O 2575478 XBSXVUHHZXULRO-UHFFFAOYSA-N 146.146 -1.593 0 30 AAAC in-vitro N[C@H](CCCNC=O)C(=O)O 39058185 YKSXCJIDQPBVSY-RXMQYKEDSA-N 160.173 -1.076 0 30 AAAC O=S1(=O)CC[C@@H](CO)N1 60107381 GDMWWRUTCBSAFE-BYPYZUCNSA-N 151.187 -1.330 0 30 AAAC [O-][n+]1cc(CO)ncc1CO 96346922 GAYHZFZETCPPJR-UHFFFAOYSA-N 156.141 -1.300 0 30 AAAC CN(C)S(=O)(=O)NCCO 19780745 KZPGKVAAISIIFE-UHFFFAOYSA-N 168.218 -1.625 0 30 AAAC in-vitro CC(=O)NCC[C@@H](O)C(=O)O 138463708 ZGOUQAQNCBTXHD-RXMQYKEDSA-N 161.157 -1.042 0 30 AAAC CC12NCCNC1(C)NCCN2 39113784 LQWQILRMAADMQS-UHFFFAOYSA-N 170.260 -1.196 0 30 AAAC C[C@H](O)CNCCNC[C@H](C)O 19360819 NXNQLKPBPWLUSX-YUMQZZPRSA-N 176.260 -1.073 0 30 AAAC N[C@@H]1C(=O)NC[C@@H](O)[C@@H]1O 95923276 HCHNBOFMNHKJPL-UZBSEBFBSA-N 146.146 -2.835 0 30 AAAC NNCCC(N)=O 104644708 STBNDRFVFXHSEO-UHFFFAOYSA-N 103.125 -1.675 0 30 AAAC COCCN(C)S(N)(=O)=O 42351335 ZQBWANAYJMOKPR-UHFFFAOYSA-N 168.218 -1.232 0 30 AAAC NS(=O)(=O)NC1CC1 39121666 OOQSKHUOAWDXMS-UHFFFAOYSA-N 136.176 -1.058 0 30 AAAC in-vitro N[C@@H](CO)C(=O)N1CCCC1 13529411 FTQXPRXTLOMHLO-LURJTMIESA-N 158.201 -1.072 0 30 AAAC N#CN(C=O)C(=N)N 140393515 RMUPNSINHUOUPL-UHFFFAOYSA-N 112.092 -1.181 0 30 AAAC C[C@@H]1NC(=O)C(CO)(CO)NC1=O 39115287 SJDNIINUMLYOLN-BYPYZUCNSA-N 188.183 -2.656 0 30 AAAC O=C(NCCO)[C@@H]1CNCCN1 84928272 QKKWUENYWLFYAC-LURJTMIESA-N 173.216 -2.344 0 30 AAAC CCOC(=O)[C@@H]1C[C@@H](O)C(=O)N1 39116191 UZPRGYWLTRWGFD-CRCLSJGQSA-N 173.168 -1.201 0 30 AAAC CC(=O)[C@@H](O)[C@@H](O)C(C)=O 2016467 RQDWELNLPMBYMA-OLQVQODUSA-N 146.142 -1.114 0 30 AAAC [CH2]C1=CC(O)(O)C(O)(O)C=C1 223625157 SAPAOWUOJHJQMX-UHFFFAOYSA-N 157.145 -1.322 0 30 AAAC C[C@H](O)CNCCNC[C@@H](C)O 19366452 NXNQLKPBPWLUSX-OCAPTIKFSA-N 176.260 -1.073 0 30 AAAC CC(=O)N1CC1(C(N)=O)C(N)=O 39069489 BYVHMTZCIUJPID-UHFFFAOYSA-N 171.156 -2.442 0 30 AAAC CCOC(=O)[C@@H]1NC=N[C@H]1N 39057990 AXKWOLWGODVHLU-RFZPGFLSSA-N 157.173 -1.166 0 30 AAAC CN1C(=O)CNC(=O)[C@H]1CO 39113641 GPIWWBCVBLPYCZ-SCSAIBSYSA-N 158.157 -2.065 0 30 AAAC CCn1cc(S(N)(=O)=O)nn1 707852135 JWPNURRLGSBWCY-UHFFFAOYSA-N 176.201 -1.055 0 30 AAAC C[C@@H]1NC(=O)[C@H](CON)NC1=O 96333752 NEPHRNHDXGKJEN-IMJSIDKUSA-N 173.172 -2.120 0 30 AAAC N=C(NCC(=O)O)NP(=O)(O)O 4096038 UUZLOPBEONRDRY-UHFFFAOYSA-N 197.087 -1.722 0 30 AAAC endogenous,in-man N[C@](CO)(CC(=O)O)C(=O)O 18682836 YGLOQRWELYMJBX-YFKPBYRVSA-N 163.129 -1.765 0 30 AAAC OCCOCOCCO 1841154 YSPADHLUBJTJLN-UHFFFAOYSA-N 136.147 -1.038 0 30 AAAC CC(=O)CS(N)(=O)=O 39068789 GTOXRTMBLGPMLH-UHFFFAOYSA-N 137.160 -1.136 0 30 AAAC C1CN[C@H]([C@@H]2CNCCN2)CN1 39113763 AGUZDVQPUZKYPV-YUMQZZPRSA-N 170.260 -1.891 0 30 AAAC Cn1nnc(C[C@H](N)C(N)=O)n1 236162822 JYXPVQYYBRTFIC-VKHMYHEASA-N 170.176 -2.435 0 30 AAAC COC(=O)[C@H](CC(N)=O)NC(C)=O 3125974 XSNYYWBWJRBJHM-YFKPBYRVSA-N 188.183 -1.461 0 30 AAAC Nc1cnc2nc[nH]n2c1=O 100286960 AJUJEXMDZVIXNH-UHFFFAOYSA-N 151.129 -1.000 0 30 AAAC OC[C@@H]1C[C@H](O)[C@H](O)[C@H](O)[C@H]1O 139906371 TVKYRGWJELUGNG-AZEWMMITSA-N 178.184 -2.558 0 30 AAAC NC(=O)[C@@H]1C[C@H](O)CN1N=O 238538002 ONWBZNUSIZRZMT-IMJSIDKUSA-N 159.145 -1.412 0 30 AAAC CO[C@H]1NC(=O)N(CO)[C@@H]1OC 5998223 RLCNRJIGKFHYRP-RFZPGFLSSA-N 176.172 -1.094 0 30 AAAC O=C1NC[C@H](C(=O)O)C(=O)N1 67172081 WPICHSHYZZLJMY-REOHCLBHSA-N 158.113 -1.473 0 30 AAAC C1=N[C@@H]2NC=N[C@@H]2C(n2cncn2)=N1 104400757 CABGMOONTUWKFY-WDSKDSINSA-N 189.182 -1.107 0 30 AAAC C[C@H]1O[C@@H](O)[C@@H](O)C[C@@H]1O 6468484 KYPWIZMAJMNPMJ-DPYQTVNSSA-N 148.158 -1.165 0 30 AAAC in-vitro N[C@H](CC(=O)O)[C@H](O)C(=O)O 13353960 FYEASJKRDJYNDI-FONMRSAGSA-N 163.129 -1.766 0 30 AAAC CB1NBNB(C)N1 263590137 YNWGNSJLOHNXDN-UHFFFAOYSA-N 108.559 -1.729 0 30 AAAC CC1=N[C@@H](C(=O)O)[C@H](O)CN1 2386939 KIIBBJKLKFTNQO-RFZPGFLSSA-N 158.157 -1.178 0 30 AAAC N[C@@](O)(CCC(=O)O)C(=O)O 39136042 GXSDWXSYZHGBBO-RXMQYKEDSA-N 163.129 -1.417 0 30 AAAC NCCCN(CCN)CCN 34016817 VHCPBLNDTKVHTI-UHFFFAOYSA-N 160.265 -1.445 0 30 AAAC C[C@@H]1CN[C@@H]2NC(N)=NC(=O)[C@@H]2N1 39114413 GRGWASDEOIBWJS-UOWFLXDJSA-N 183.215 -2.293 0 30 AAAC COC(=O)[C@H](N)C(=O)O 95933678 DJJDVURDQUREHS-UWTATZPHSA-N 133.103 -1.429 0 30 AAAC O=[N+]([O-])O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O 5157274 YWXYYJSYQOXTPL-KVTDHHQDSA-N 191.139 -1.278 0 30 AAAC C[C@@H](O)[C@H](O)CN 90733477 BSLCSFCXSUCFQN-QWWZWVQMSA-N 105.137 -1.313 0 30 AAAC in-vitro O=C(O)COC(C(=O)O)C(=O)O 2002800 LVVZBNKWTVZSIU-UHFFFAOYSA-N 178.096 -1.375 0 30 AAAC Nc1nc(=O)[nH]c2[nH]c(=O)cnc12 45814481 VNVORMBUFQMATK-UHFFFAOYSA-N 179.139 -1.411 0 30 AAAC NNC1=NC(=O)CC(O)=N1 73738921 AEYAOJIQMIDOKD-UHFFFAOYSA-N 142.118 -1.308 0 30 AAAC OC[C@@H](O)[C@@H]1CCN1 117293440 QKIBMIPUOOPQHB-CRCLSJGQSA-N 117.148 -1.299 0 30 AAAC O=C1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O 253793174 VYEGBDHSGHXOGT-IYJRPRHRSA-N 178.140 -3.626 0 30 AAAC Nn1ccc(=O)n(N)c1=O 116540271 WSGSLLGTPURFIO-UHFFFAOYSA-N 142.118 -2.562 0 30 AAAC NS(=O)(=O)C[C@@H]1CCN1 258177940 ZJCCDSAMZQWZHE-BYPYZUCNSA-N 150.203 -1.363 0 30 AAAC O=C(O)[C@@H]1NC[C@@H]2ON=C(O)[C@@H]21 103978849 XJSXFNHFIBCTDU-YVZJFKFKSA-N 172.140 -1.071 0 30 AAAC C[C@H]1C(=O)NCCN1CCO 34263487 DYDPKFLAASLKBB-LURJTMIESA-N 158.201 -1.201 0 30 AAAC CNC1(C(N)=O)CNC1 78677351 CGXGLNOZJADLOB-UHFFFAOYSA-N 129.163 -1.967 0 30 AAAC NC[C@H]1CN1 22590401 AEXCVBXGIHNPIK-VKHMYHEASA-N 72.111 -1.083 0 30 AAAC CCOC(=O)[C@H]1NC=N[C@@H]1N 39057991 AXKWOLWGODVHLU-WHFBIAKZSA-N 157.173 -1.166 0 30 AAAC O=c1cc(C(O)O)[nH]c(=O)[nH]1 39953727 DUGHQFVNXIWPEA-UHFFFAOYSA-N 158.113 -1.954 0 30 AAAC COC(=O)[C@@H](N)Cc1c[nH]c(=O)[nH]1 260897163 FJXLACDODWWFDS-YFKPBYRVSA-N 185.183 -1.254 0 30 AAAC C1COc2nc3c(nc2=N1)NON=3 82053367 UZLRKZXFMPOIEK-UHFFFAOYSA-N 179.139 -1.620 0 30 AAAC O=C1C[C@H](O)[C@H](O)CN1 95802978 RJRCRXCFFUVWAN-IUYQGCFVSA-N 131.131 -1.772 0 30 AAAC NC(=O)c1ccc(NCCO)nn1 21300134 BIYKFOVJKCBPQT-UHFFFAOYSA-N 182.183 -1.020 0 30 AAAC C=CC(=O)NCNC(N)=O 33605253 AHFCYFDSTXEZKS-UHFFFAOYSA-N 143.146 -1.086 0 30 AAAC O=C(O)[C@H]1CC(=O)N(C2CNC2)C1 107130079 NCBXOPSCSPPMSD-YFKPBYRVSA-N 184.195 -1.109 0 30 AAAC OC[C@@H]1[C@H](O)[C@H](O)[C@@H]2[C@@H](O)CCN21 255962222 AIQMLBKBQCVDEY-IMFYSGRJSA-N 189.211 -2.482 0 30 AAAC biogenic CN(C)C(=O)[C@@H](N)CC(=O)O 39135590 USAAXKNUNARPCY-BYPYZUCNSA-N 160.173 -1.123 0 30 AAAC OC[C@H]1COB(O)O1 197250164 HXGHIZVNPXUHFK-VKHMYHEASA-N 117.897 -1.629 0 30 AAAC C[C@@H](O)[C@@H]1NC(=O)[C@H](CO)NC1=O 39115294 NXHJDNOQSRLKEP-WISUUJSJSA-N 188.183 -2.657 0 30 AAAC C[C@H]1NC(=O)[C@@](C)(O)NC1=O 39113639 PLXRPOZBZWVXCG-AWFVSMACSA-N 158.157 -1.671 0 30 AAAC OCCCNCCCOB(O)O 195773106 MHESBQZGKGCYJF-UHFFFAOYSA-N 177.009 -1.665 0 30 AAAC OC[C@@H]1O[C@H]1CO 1666453 PENWRXZLRDTNBI-IMJSIDKUSA-N 104.105 -1.262 0 30 AAAC O[C@@H]1CO[C@H](O)[C@@H](O)C1 14963011 ZTOHRSGVYZXRGQ-YUPRTTJUSA-N 134.131 -1.553 0 30 AAAC Nc1nc(N)c(N)nc1N 104559668 BLFHNSQIZCUTLB-UHFFFAOYSA-N 140.150 -1.195 0 30 AAAC NNC1=NC(=O)C(=O)N1 40537714 ZJIAWRYVMDVVLM-UHFFFAOYSA-N 128.091 -2.538 0 30 AAAC in-vitro CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O 86865048 GJFIBNOHCLHAOT-IECVIRLLSA-N 193.199 -2.601 0 30 AAAC NN1NC(=O)c2[nH]cnc2N1 197749338 AULZAEJAJNRFGD-UHFFFAOYSA-N 154.133 -1.429 0 30 AAAC N[C@H](C(=O)O)C1CS(=O)(=O)C1 212800765 JDLVYZJEWWBIBW-BYPYZUCNSA-N 179.197 -1.557 0 30 AAAC O=CN[C@@H]1NCCN[C@@H]1NC=O 39113832 IEXBMQJFGIRECA-OLQVQODUSA-N 172.188 -2.677 0 30 AAAC O=C1NCN[C@@H]2NCN[C@H]12 207959158 XLZVGCGLPLUGGX-IMJSIDKUSA-N 142.162 -2.492 0 30 AAAC N[C@@H]1NCN[C@H]2NCN[C@H]12 585662942 GXSFTOWUOAUHIE-UOWFLXDJSA-N 143.194 -2.734 0 30 AAAC NC(=O)[C@@H](N)[C@H]1CCS(=O)(=O)C1 83144846 OZDYUKHEKUIDDO-WHFBIAKZSA-N 192.240 -1.766 0 30 AAAC CN1CCOC[C@]1(CN)CO 575528006 NMYQYBRQAVESCN-ZETCQYMHSA-N 160.217 -1.362 0 30 AAAC OC[C@@H]1[C@H](O)[C@H](O)[C@H]2[C@H](O)CCN12 5572700 AIQMLBKBQCVDEY-UIAUGNHASA-N 189.211 -2.482 0 30 AAAC biogenic Nc1c[nH]c(=O)c[n+]1[O-] 95922747 BDWZRPGXWUYNMW-UHFFFAOYSA-N 127.103 -1.410 0 30 AAAC C1CO[C@H]2CNC[C@H]2N1 34453754 UMIZTIYZNFUATK-RITPCOANSA-N 128.175 -1.053 0 30 AAAC C1CNCC2(C1)NCNCN2 39095296 WJMPYOFVECIHPU-UHFFFAOYSA-N 156.233 -1.237 0 30 AAAC COC(=O)[C@](C)(N)CC(N)=O 39058158 CTMNHIFTGPSQFP-ZCFIWIBFSA-N 160.173 -1.248 0 30 AAAC NC[C@H](O)[C@@H](O)CO 33610362 WIFPJDJJFUSIFP-IMJSIDKUSA-N 121.136 -2.341 0 30 AAAC CN1C(=O)CNC(=O)[C@@H]1CO 39113642 GPIWWBCVBLPYCZ-BYPYZUCNSA-N 158.157 -2.065 0 30 AAAC O[C@H]1C=C[C@H](O)[C@@H](O)[C@H]1O 33903704 LRUBQXAKGXQBHA-OMMKOOBNSA-N 146.142 -2.000 0 30 AAAC NCCNCCOCCO 38522686 WVMWULRIHKUMRY-UHFFFAOYSA-N 148.206 -1.456 0 30 AAAC in-vitro NC(=O)[C@H]1C[C@@H](O)CN1N=O 238563711 ONWBZNUSIZRZMT-QWWZWVQMSA-N 159.145 -1.412 0 30 AAAC N[C@]1(C(=O)O)C[C@H]1CO 2244233 ZPCQSJYTXRPREU-WVZVXSGGSA-N 131.131 -1.219 0 30 AAAC NC(=O)C[C@H](C(=O)O)S(=O)(=O)O 5131916 BCFOOQRXUXKJCL-UWTATZPHSA-N 197.168 -1.797 0 30 AAAC O=C1O[C@H]([C@@H](O)C(=O)O)[C@H](O)[C@@H]1O 13552001 XECPAIJNBXCOBO-XHGCLVTGSA-N 192.123 -2.921 0 30 AAAC endogenous,in-vitro NCCC(CO)CO 20216473 VTYBYCXLGOZQPN-UHFFFAOYSA-N 119.164 -1.064 0 30 AAAC COC(=O)[C@H]1N[C@@H]1C(=O)O 39065766 WKBREPRICMCPNX-HRFVKAFMSA-N 145.114 -1.416 0 30 AAAC O=C(O)[C@H]1CNC[C@H](C(=O)O)N1 33799776 AHWWYXLUWXDFLF-QWWZWVQMSA-N 174.156 -1.914 0 30 AAAC CC(=O)N[C@@H](NC=O)C(=O)N(C)C 39128605 ZIQIFKUWHDHQIO-ZCFIWIBFSA-N 187.199 -1.717 0 30 AAAC CC(=O)N[C@@H]1NC(=O)NC1=O 39132770 CSGWGMMFAMMBSX-GSVOUGTGSA-N 157.129 -1.712 0 30 AAAC N[C@H]1C(=O)N[C@H](C(=O)O)[C@H]1O 100284752 OTFLHMRYVVDFLY-LAMMAJBHSA-N 160.129 -2.742 0 30 AAAC NC(=O)C1=C(N)[C@H](O)[C@@H]2O[C@H]2C1=O 105556412 QLMRBXGSYQJYML-ZLUOBGJFSA-N 184.151 -2.605 0 30 AAAC NCCCOC[C@H](O)CO 2381470 LCTPWIYQTIJTQU-ZCFIWIBFSA-N 149.190 -1.295 0 30 AAAC COC(=O)N[C@H](OC)C(N)=O 34115403 GKKAAYNVEGHRKQ-SCSAIBSYSA-N 162.145 -1.200 0 30 AAAC NC(=O)c1noc(N)n1 38803740 PQASEQJPNMSZLN-UHFFFAOYSA-N 128.091 -1.249 0 30 AAAC OC[C@@H]1CN[C@@H](CO)CN1 62566287 XULVBMHGSVTDME-OLQVQODUSA-N 146.190 -2.099 0 30 AAAC NC1=N[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O1 16954284 IVFVSTOFYHUJRU-AIHAYLRMSA-N 174.156 -2.222 0 30 AAAC C[C@H](O[SiH](CO)CO)C(=O)O 238790487 RBZINQLKSIPUBQ-BYPYZUCNSA-N 180.232 -1.737 0 30 AAAC O=C(O)C1O[C@H](O)[C@@H](O)O1 39066036 DKYRLITYAZMMBF-HRFVKAFMSA-N 150.086 -1.919 0 30 AAAC O=C(CO)CCO 40448698 XBJODPUPYBBDEM-UHFFFAOYSA-N 104.105 -1.070 0 30 AAAC in-vitro C[C@H](CO)S(N)(=O)=O 84152255 UZVBTOYEOSZCEQ-GSVOUGTGSA-N 139.176 -1.344 0 30 AAAC N[C@@H]1C[C@H](CO)[C@H](O)[C@H]1O 85475805 FHNKBDPGQXLKRW-ZXXMMSQZSA-N 147.174 -1.952 0 30 AAAC CN1C[C@H](O)[C@H](O)C1 86331804 VJSWVPMFOHDBHG-SYDPRGILSA-N 117.148 -1.346 0 30 AAAC CO[C@H]1[C@@H](O)[C@H](O)[C@@H](O)O[C@@H]1C 223462632 OMQXLHQOYBBLDL-PZRMXXKTSA-N 178.184 -1.540 0 30 AAAC C[C@@H](O)CS(N)(=O)=O 39477803 KPXNQHAHVGBVBI-GSVOUGTGSA-N 139.176 -1.344 0 30 AAAC O=CN(C(=O)C(=O)O)C(=O)C(=O)O 45820506 OKDVAZAPQJBGFU-UHFFFAOYSA-N 189.079 -2.333 0 30 AAAC OC[C@@H]1CNC[C@@H](CO)O1 211297290 GETXODYPLYGMHT-WDSKDSINSA-N 147.174 -1.672 0 30 AAAC CN(CCO)CC(N)=O 32016228 XRAFGYRWNDHQFT-UHFFFAOYSA-N 132.163 -1.604 0 30 AAAC O=CN[C@H]1CNC(=O)NC1=O 33637394 MDYKHCIVCWSONE-VKHMYHEASA-N 157.129 -2.060 0 30 AAAC CCN1CCN(C(N)=O)C(=O)C1=O 39115126 PNWJHMNWFRMQKF-UHFFFAOYSA-N 185.183 -1.244 0 30 AAAC COCC[C@@H](N)C(N)=O 52791061 FZVBWAUFIBRUSG-SCSAIBSYSA-N 132.163 -1.165 0 30 AAAC in-vitro Cn1ncnc1C1(O)CNC1 307753757 XAHPMJHVJNULNJ-UHFFFAOYSA-N 154.173 -1.394 0 30 AAAC O=CN[C@@H]1CNC(=O)NC1=O 33637396 MDYKHCIVCWSONE-GSVOUGTGSA-N 157.129 -2.060 0 30 AAAC NC(=O)CN1CCN(C(N)=O)CC1 39115215 VWOSJVRQDOQGNF-UHFFFAOYSA-N 186.215 -1.832 0 30 AAAC C1NC[C@]2(N1)NCNN2 39095239 IIFHXPGZXIXIKI-BYPYZUCNSA-N 129.167 -2.555 0 30 AAAC CNC(=O)c1no[n+]([O-])c1C 39140692 LMDLFNWOHKKTNV-UHFFFAOYSA-N 157.129 -1.024 0 30 AAAC CNC(=O)C[C@H]1NCCN(C)C1=O 75576905 JVKMUUCQFUOROV-ZCFIWIBFSA-N 185.227 -1.447 0 30 AAAC NC[C@@]1(O)CCCS(=O)(=O)C1 82681682 BYWLYVYEZGYOIR-LURJTMIESA-N 179.241 -1.115 0 30 AAAC N[C@@H]1CN[C@H](CO)C1 72266180 GATJYQXOTIFFMS-WHFBIAKZSA-N 116.164 -1.332 0 30 AAAC CNS(=O)(=O)[C@@H](C)CN 82631872 WFSBLMWAELHOJV-BYPYZUCNSA-N 152.219 -1.117 0 30 AAAC O=S1(=O)CCCN1C1CNC1 82373108 YCUAGDLSGNZXPG-UHFFFAOYSA-N 176.241 -1.006 0 30 AAAC O=[N+]([O-])O[C@@H]1CO[C@@H]2[C@@H](O)CO[C@@H]12 3830965 YWXYYJSYQOXTPL-KCDKBNATSA-N 191.139 -1.278 0 30 AAAC O=C1Nc2c[nH]c(=O)nc2N[C@H]1O 32203238 PHMWRCYNACXJTG-YFKPBYRVSA-N 182.139 -1.548 0 30 AAAC O=[N+]([O-])N(CCO)CCO 59411024 NZNQBGHDPNBRGK-UHFFFAOYSA-N 150.134 -1.535 0 30 AAAC O=C(CO)N1CCC[C@H]1CO 79315247 JFATYCWAEVKUFE-LURJTMIESA-N 159.185 -1.038 0 30 AAAC OCCN[C@@H]1CNC[C@H]1O 39058936 MLPMDQRKVXXUIX-PHDIDXHHSA-N 146.190 -2.099 0 30 AAAC CC(=O)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O 196600945 KJFMWZCEHSQWQV-XUTVFYLZSA-N 189.211 -1.775 0 30 AAAC OC(O)O 104582791 RLAHWVDQYNDAGG-UHFFFAOYSA-N 64.040 -1.753 0 30 AAAC N[C@H]1COC[C@@H]1CO 107302362 UEOVIIQBMQIOGG-WHFBIAKZSA-N 117.148 -1.048 0 30 AAAC O=Cc1nnc(O)[nH]c1=O 39060898 FZKMFXULQULAEU-UHFFFAOYSA-N 141.086 -1.317 0 30 AAAC N[C@H]1C(=O)N[C@H]1C(=O)O 59542492 NTCFPWFFFBNPOB-JCYAYHJZSA-N 130.103 -2.103 0 30 AAAC NN1C=NN(CC(=O)O)C1 213088973 JNTRHHHYPSKHEX-UHFFFAOYSA-N 144.134 -1.537 0 30 AAAC CO[C@@H](CN)CC(N)=O 215266136 AEBUFXQFNREKLG-SCSAIBSYSA-N 132.163 -1.165 0 30 AAAC in-vitro C[C@H]1NC(=O)[C@@H](CON)NC1=O 39113886 NEPHRNHDXGKJEN-QWWZWVQMSA-N 173.172 -2.120 0 30 AAAC NC(=O)C1=C(N)[C@H](O)[C@H]2O[C@H]2C1=O 105556417 QLMRBXGSYQJYML-HCWXCVPCSA-N 184.151 -2.605 0 30 AAAC C[C@H](O)[C@@](N)(CCN)C(=O)O 39136977 WMKCSJHGWNOGBF-NJGYIYPDSA-N 162.189 -1.502 0 30 AAAC CN1CCO[C@@H](C(=O)O)C1=O 59480133 OZCSEBGJECAUHS-SCSAIBSYSA-N 159.141 -1.072 0 30 AAAC CO[C@H]1[C@H](O)N(CO)C(=O)N1CO 5732177 DDTMTHCUKRELBA-WHFBIAKZSA-N 192.171 -2.086 0 30 AAAC CCCNC(=O)[C@@H](N)C(N)=O 39135418 BKKXLOPYUGTAHW-BYPYZUCNSA-N 159.189 -1.675 0 30 AAAC O=C1NC[C@H](CO)N1 59636943 JDXWVZWFFCLGPU-GSVOUGTGSA-N 116.120 -1.340 0 30 AAAC CO[C@@H]1[C@@H](O)OC[C@@H](O)[C@@H]1O 14593936 UAXFCDNRLADBDZ-VANKVMQKSA-N 164.157 -1.928 0 30 AAAC COCN1CC(=O)N(C)CC1=O 39113867 FVNXEKFSDOAEGA-UHFFFAOYSA-N 172.184 -1.109 0 30 AAAC O=C1C[C@@H](O)[C@H](CO)O[C@H]1O 22055748 UHPMJDGOAZMIID-PQLUHFTBSA-N 162.141 -1.984 0 30 AAAC in-vitro Nc1nc(=O)c2c([nH]1)N[C@H](O)C=N2 100282852 GQTYCMKNNXPNIB-UWTATZPHSA-N 181.155 -1.202 0 30 AAAC NC(=O)[C@@H]1CNCCN1C1CC1 215371294 NQOHLHRESMHDHG-ZETCQYMHSA-N 169.228 -1.092 0 30 AAAC NC[C@@H](O)CCO 2581348 AZWLGPJBVAQRHW-BYPYZUCNSA-N 105.137 -1.312 0 30 AAAC NC1=NC(N)=NC(=O)C1 4261778 CHSXGZHOMKSJNB-UHFFFAOYSA-N 126.119 -1.411 0 30 AAAC O=S(=O)(O)/C(=C\CO)CO 5112516 KOGFAKZDUZPOHG-RJRFIUFISA-N 168.170 -1.257 0 30 AAAC COC(=O)N[C@@H](OC)C(N)=O 34115402 GKKAAYNVEGHRKQ-BYPYZUCNSA-N 162.145 -1.200 0 30 AAAC CNS(=O)(=O)CCO 84152085 CKXURKCHJGKQRQ-UHFFFAOYSA-N 139.176 -1.472 0 30 AAAC CN(N)C(=N)N1CCNCC1 39081052 AVAUDOZUGXFLQX-UHFFFAOYSA-N 157.221 -1.368 0 30 AAAC C[C@H]1NCC(=O)NC1=O 39095683 XNJHLZCLSPEUJN-GSVOUGTGSA-N 128.131 -1.379 0 30 AAAC C[C@H]1O[C@H](O)C[C@@H](N)[C@@H]1O 2389529 BBMKQGIZNKEDOX-ARQDHWQXSA-N 147.174 -1.198 0 30 AAAC in-vitro O[C@@H]1C=C[C@@H](O)[C@@H](O)[C@@H]1O 5133203 LRUBQXAKGXQBHA-KVTDHHQDSA-N 146.142 -2.000 0 30 AAAC in-vitro CCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO 39112183 AAIVEZRVVOCFHJ-SHGPDSBTSA-N 191.227 -2.331 0 30 AAAC O=C(O)[C@@H]1NC[C@H]2ON=C(O)[C@@H]21 103978846 XJSXFNHFIBCTDU-FLRLBIABSA-N 172.140 -1.071 0 30 AAAC CCNC[C@H](O)CO 5650425 DHWUBIRULANTFI-YFKPBYRVSA-N 119.164 -1.051 0 30 AAAC N[C@@H](CNCCO)C(=O)O 22930028 FZZHISOCCCKIHY-BYPYZUCNSA-N 148.162 -2.020 0 30 AAAC C[C@H](NC[C@H](O)CN)C(=O)O 39058306 MEMLAZUOYHYCPF-CRCLSJGQSA-N 162.189 -1.631 0 30 AAAC O=C1NC[C@@H](C(=O)O)C(=O)N1 67172082 WPICHSHYZZLJMY-UWTATZPHSA-N 158.113 -1.473 0 30 AAAC NCC[C@@H](NC(=O)C(=O)O)C(=O)O 13356040 FSWAVNWMSDFCLP-GSVOUGTGSA-N 190.155 -2.011 0 30 AAAC CN(C)C(=O)C[C@@H]1NCCNC1=O 90662070 APMIWQXXTKRASM-LURJTMIESA-N 185.227 -1.447 0 30 AAAC O=C1NNC(=O)[C@@H]2NC=N[C@@H]12 98178888 BODGSKRVXSPADQ-PWNYCUMCSA-N 154.129 -2.484 0 30 AAAC O=C1CCNC2(CNC2)CN1 2265385401 SDWMVFONCCHKQF-UHFFFAOYSA-N 155.201 -1.562 0 30 AAAC CS(=O)(=O)NC[C@H]1CNCCO1 36284194 ADNPJMCQRXUJKI-ZCFIWIBFSA-N 194.256 -1.476 0 30 AAAC C[C@H]1NC(=O)C[C@H](C(=O)O)N1 39058063 FJXPASICOZWLOK-QWWZWVQMSA-N 158.157 -1.105 0 30 AAAC N[C@@H]1OC[C@@H](O)[C@@H](O)[C@H]1O 83325355 RQBSUMJKSOSGJJ-TXICZTDVSA-N 149.146 -2.616 0 30 AAAC in-vitro NC(=O)[C@H](N)[C@H]1CCCO1 98210147 ALVGELMENIUCSV-RFZPGFLSSA-N 144.174 -1.022 0 30 AAAC in-vitro C1CN(C[C@H]2CNCCO2)CCN1 39115090 KIIHPWXATLEYCC-SECBINFHSA-N 185.271 -1.120 0 30 AAAC O=C(CCO)NCCO 88189631 BDUROWSFHVNSDJ-UHFFFAOYSA-N 133.147 -1.523 0 30 AAAC CCOC(=O)[C@@H]1C[C@H](N)[C@@H](O)[C@H]1O 255003820 BFNHIMATPXBNSW-JRTVQGFMSA-N 189.211 -1.382 0 30 AAAC CS(=O)(=O)C[C@H](N)CO 258602323 VAPXJUSIEXVLPQ-SCSAIBSYSA-N 153.203 -1.649 0 30 AAAC O=C(OCCO)N(CO)CO 5178817 NFZKOWUWFGTZQQ-UHFFFAOYSA-N 165.145 -1.683 0 30 AAAC NNc1nncnn1 39167958 JBKQXEVBYYASGQ-UHFFFAOYSA-N 112.096 -1.448 0 30 AAAC O=CC(=O)COP(=O)(O)O 5410049 NZAAQWRNVFEKME-UHFFFAOYSA-N 168.041 -1.136 0 30 AAAC endogenous,in-vitro N[C@@H]1CNCC[C@H]1O 72231433 PSSWASGEGXCINO-RFZPGFLSSA-N 116.164 -1.332 0 30 AAAC COC(=O)[C@@H](F)[C@H](N)C(=O)O 1574177 TWWCVGNMYCSRFX-HRFVKAFMSA-N 165.120 -1.091 0 30 AAAC NCCNCCNC(=O)CCCO 33506423 AIQCOYGNNVZTSU-UHFFFAOYSA-N 189.259 -1.577 0 30 AAAC CS(=O)(=O)C[C@H](N)C(=O)O 12153436 AINYOQVNQVOYSR-VKHMYHEASA-N 167.186 -1.557 0 30 AAAC in-vitro C[C@@H]1NC(=O)C[C@H](C(=O)O)N1 39058064 FJXPASICOZWLOK-IUYQGCFVSA-N 158.157 -1.105 0 30 AAAC OCC[C@@H]1CN(CCO)CCN1 39113916 LWOIPPVWVLSHQJ-MRVPVSSYSA-N 174.244 -1.365 0 30 AAAC O=S(=O)(O)CCNCCO 2569567 BVIXTPMSXQAQBG-UHFFFAOYSA-N 169.202 -1.544 0 30 AAAC C[C@@H](O)[C@@H]1NC(=O)[C@@H]2CCCN2C1=O 8076670 UBLWFFBGMBRBMC-VQVTYTSYSA-N 198.222 -1.143 0 30 AAAC in-vitro NNC(=S)NCC(N)=O 20426615 NRYGDHODMXPWAQ-UHFFFAOYSA-N 148.191 -2.191 0 30 AAAC in-vitro NC[C@@H](O)[C@H](O)CO 33610363 WIFPJDJJFUSIFP-QWWZWVQMSA-N 121.136 -2.341 0 30 AAAC NS(=O)(=O)C[C@H]1CCN1 258177943 ZJCCDSAMZQWZHE-SCSAIBSYSA-N 150.203 -1.363 0 30 AAAC Cn1nc(O)n(-c2cc[nH]n2)c1=O 575462753 JVXPDSZSYMAZFM-UHFFFAOYSA-N 181.155 -1.000 0 30 AAAC O[C@H]1CNC[C@H](O)[C@@H](O)[C@@H]1O 13479100 MRFFNLOQLBWKPJ-UNTFVMJOSA-N 163.173 -2.967 0 30 AAAC in-vitro CC(=O)NCN1CCNCC1 39113591 YNJNXPZQQITZNM-UHFFFAOYSA-N 157.217 -1.015 0 30 AAAC O=S1(=O)CC[C@H]2CNCCN21 75119097 BYYKMTONWNLJGJ-LURJTMIESA-N 176.241 -1.006 0 30 AAAC OC[C@H](O)[C@@H]1CCN1 117293443 QKIBMIPUOOPQHB-WHFBIAKZSA-N 117.148 -1.299 0 30 AAAC CC1=NC[C@@H](O)[C@@H](C(=O)O)N1 14723865 KIIBBJKLKFTNQO-UHNVWZDZSA-N 158.157 -1.178 0 30 AAAC NCC[C@H](F)C[C@H](N)C(N)=O 39136180 VLENTJMBSBOGOI-WHFBIAKZSA-N 163.196 -1.124 0 30 AAAC C[C@H](NCCN)N1CCNCC1 19318871 NBVFZTVREXMIIP-MRVPVSSYSA-N 172.276 -1.214 0 30 AAAC COC(=O)C[C@@H]1C(=O)NCCN1C 39115159 MAYOTZLCZRVRFO-ZCFIWIBFSA-N 186.211 -1.020 0 30 AAAC C1=N[C@H]2NC=N[C@H]2C(n2cncn2)=N1 104400760 CABGMOONTUWKFY-PHDIDXHHSA-N 189.182 -1.107 0 30 AAAC N[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O 16930948 RQBSUMJKSOSGJJ-MBMOQRBOSA-N 149.146 -2.616 0 30 AAAC Nc1n[nH]c2c1C(=O)NC2=O 39133995 VRGDANOVXRTRGV-UHFFFAOYSA-N 152.113 -1.125 0 30 AAAC NC1[C@@H](O)C[C@@H]1O 144381649 XRSPSLMIYRTMHA-HRFVKAFMSA-N 103.121 -1.561 0 30 AAAC C[C@]12NCCN1CCN1CCN[C@@H]12 34455112 BQVJIIFJTDCVSN-IUCAKERBSA-N 182.271 -1.147 0 30 AAAC NCC[C@H](O)CN 5113459 HXMVNCMPQGPRLN-BYPYZUCNSA-N 104.153 -1.345 0 30 AAAC COC(=O)[C@@]1(C)NCCNC1=O 39113853 LXMJTDUOUFIJOA-ZETCQYMHSA-N 172.184 -1.363 0 30 AAAC CO[C@H]1O[C@H](CO)C[C@H](O)[C@H]1O 44021404 ARNZRNVPEASSLV-YTLHQDLWSA-N 178.184 -1.538 0 30 AAAC in-vitro CC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 14961328 OUSKVHOYPHDTIA-XZBKPIIZSA-N 194.183 -2.989 0 30 AAAC O=C1CC[C@H](O)[C@H](C(=O)O)N1 39058119 PJNXWDZCBVFCMD-WVZVXSGGSA-N 159.141 -1.290 0 30 AAAC OC[C@@H](O)C[C@@H](O)CO 14649303 VHDMXHLHMMROPO-SYDPRGILSA-N 136.147 -1.917 0 30 AAAC endogenous,in-man NCCNCCNCCO 22589790 HVOBSBRYQIYZNY-UHFFFAOYSA-N 147.222 -1.883 0 30 AAAC CN1CCNC(=O)[C@@H]1CC(N)=O 39113730 NTLDPPWCRMNMNF-YFKPBYRVSA-N 171.200 -1.708 0 30 AAAC CNC(=O)[C@H](CO)NC(C)=O 34360959 WAZDXKZPWRIFLK-YFKPBYRVSA-N 160.173 -1.771 0 30 AAAC CCN[C@@H]1C[C@H](O)C[C@@H](O)[C@H]1O 38363215 NJDQKJNNRCJSNJ-OSMVPFSASA-N 175.228 -1.159 0 30 AAAC O=C1O[C@@H]2[C@H](O)[C@@H](O)O[C@H]2[C@@H]1O 102209242 OGLCQHRZUSEXNB-REJXVDBHSA-N 176.124 -2.649 0 30 AAAC OC[C@@H]1CNC[C@H](O)[C@H]1F 198944019 AMRGLJFRLTZTMG-ZLUOBGJFSA-N 149.165 -1.103 0 30 AAAC OC[C@@]1(O)CCNC[C@@H]1O 212058842 FCOKUPOYVWCZEG-WDSKDSINSA-N 147.174 -1.936 0 30 AAAC CN1C(=O)N[C@H](N)[C@@H](N)C1=O 39136918 WICFJCRSEXZDDK-GBXIJSLDSA-N 158.161 -2.220 0 30 AAAC NC(=O)c1nnc2n1CCNC2 75847487 OTOSLUADNQZCIY-UHFFFAOYSA-N 167.172 -1.520 0 30 AAAC NC12CN3CN(CN1C3)C2 90587938 HRAUXSUGJMYPDM-UHFFFAOYSA-N 140.190 -1.539 0 30 AAAC NC(=O)C(=O)N1CCCNCC1 36904451 CCVSLRZGQLCZJU-UHFFFAOYSA-N 171.200 -1.706 0 30 AAAC O=C(O)[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O 141725927 UDQPBAKZZSWNSE-MGCNEYSASA-N 178.140 -2.448 0 30 AAAC NC[C@H]1CO[C@@H]2[C@@H](CN)CO[C@H]12 306704094 JAPJNENUHJRFCL-RULNZFCNSA-N 172.228 -1.066 0 30 AAAC CNC(=O)c1cn(CC(=O)O)nn1 85445047 PYKRHEGOOBKJDM-UHFFFAOYSA-N 184.155 -1.278 0 30 AAAC C[C@H](O)[C@H]1NC(=O)CNC1=O 14451354 QPENGVPAWUAJDV-WVZVXSGGSA-N 158.157 -2.018 0 30 AAAC O=C1O[C@@H]2[C@H](O)[C@H](O)O[C@H]2[C@H]1O 13551918 OGLCQHRZUSEXNB-PSHXCJJASA-N 176.124 -2.649 0 30 AAAC biogenic Nc1nc(C[C@@H](N)C(=O)O)c[nH]1 26286710 UYEGXSNFZXWSDV-SCSAIBSYSA-N 170.172 -1.054 0 30 AAAC NC(=O)NCCNCCNC(N)=O 5113487 QZFZMOICRGKJNU-UHFFFAOYSA-N 189.219 -2.087 0 30 AAAC COCN1C(=O)N(CO)[C@@H](O)[C@@H]1O 5701191 KGMHAIHCEYDEIV-WHFBIAKZSA-N 192.171 -2.086 0 30 AAAC NNC1=NC(=O)CN1 34526497 WKERJGOORWPEPI-UHFFFAOYSA-N 114.108 -2.065 0 30 AAAC NC(=O)[C@@H](N)[C@@H]1CCOC1 37870614 MJXBRSNXTFSIDJ-UHNVWZDZSA-N 144.174 -1.165 0 30 AAAC in-vitro C[C@]1(C(N)=O)OC[C@@H](CO)O1 39065624 QUAHMHFUEGJAJN-XINAWCOVSA-N 161.157 -1.404 0 30 AAAC NCC[C@@H](F)C[C@@H](N)C(N)=O 39136183 VLENTJMBSBOGOI-RFZPGFLSSA-N 163.196 -1.124 0 30 AAAC N[C@@H](CO)C1COC1 107395547 NUTOBRVPKDFQLQ-YFKPBYRVSA-N 117.148 -1.048 0 30 AAAC CN[C@H]1CC(=O)[C@H](O)[C@@H](O)[C@@H]1O 13516646 TULDTLBONFEVFV-CDGOZMSNSA-N 175.184 -2.370 0 30 AAAC CN(C)C(CN)CN 96327917 FJEBWUFRAQKJMU-UHFFFAOYSA-N 117.196 -1.166 0 30 AAAC N=C(N)NC(=O)NC(=O)NC(=N)N 38643678 VDBAMTUNZNBVLQ-UHFFFAOYSA-N 187.163 -2.218 0 30 AAAC Cn1c(C(N)=O)c[n+]([O-])cc1=O 39113680 HJVPHTAWROGQLF-UHFFFAOYSA-N 169.140 -1.882 0 30 AAAC C[C@@H](O)[C@@H]1C(=O)N[C@@H]1C(=O)O 96346675 RWCDYAYKXLCUEN-UZBSEBFBSA-N 159.141 -1.434 0 30 AAAC O=C(O)[C@@H]1NC[C@@H]2ON=C(O)[C@H]21 103978853 XJSXFNHFIBCTDU-PZGQECOJSA-N 172.140 -1.071 0 30 AAAC Cc1n[nH]c(=O)n1CO 38803699 IQZLDFSGUMIAFI-UHFFFAOYSA-N 129.119 -1.170 0 30 AAAC COC(=O)[C@@]1(CO)CC(=O)N1 39088163 QYTJBBSMODGNEH-LURJTMIESA-N 159.141 -1.590 0 30 AAAC CO[C@@]12C[C@H](CN)O[C@@H]1NC(=O)N2 223508642 ZQUVIMMCBFDKQI-ZDLURKLDSA-N 187.199 -1.284 0 30 AAAC C[C@@H]1[C@H](N)[C@@H](O)[C@H](O)[C@@H]1O 26574468 PTEOOBZJCIANPX-AIECOIEWSA-N 147.174 -1.954 0 30 AAAC CC(=O)N[C@H](NC=O)C(=O)N(C)C 39128603 ZIQIFKUWHDHQIO-LURJTMIESA-N 187.199 -1.717 0 30 AAAC CNC[C@@H](O)CCO 82217764 XWTKYMIJXXGNHP-YFKPBYRVSA-N 119.164 -1.051 0 30 AAAC NC(=O)[C@H]1CNCCN1C1CC1 215371247 NQOHLHRESMHDHG-SSDOTTSWSA-N 169.228 -1.092 0 30 AAAC Cn1ncnc1C[C@H](N)C(N)=O 83971410 PQZKOHFPGGIZCN-BYPYZUCNSA-N 169.188 -1.830 0 30 AAAC N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)C[C@H]1O 307625404 PFDAVRXLZIYAFH-OVHBTUCOSA-N 177.200 -2.591 0 30 AAAC O=C(CO)OCCOC(=O)CO 5113634 KCZIRQGMWBGPRP-UHFFFAOYSA-N 178.140 -1.943 0 30 AAAC C[C@H](N)[C@H](O)C(=O)O 13352859 QTRAXZHIRXYYPP-HRFVKAFMSA-N 119.120 -1.221 0 30 AAAC CC(=O)C(=O)NCC(=O)O 33985901 DPKDEFHGQHBXFJ-UHFFFAOYSA-N 145.114 -1.224 0 30 AAAC O=c1[nH]c(=O)c2[nH]c[n+]([O-])c2[nH]1 116472727 IWTGAORMAKVJCL-UHFFFAOYSA-N 168.112 -1.822 0 30 AAAC OCCOCCOCCOCO 5113659 ZZCFMIFSHLELND-UHFFFAOYSA-N 180.200 -1.022 0 30 AAAC OCCN[C@@H]1CNC[C@@H]1O 39058938 MLPMDQRKVXXUIX-RITPCOANSA-N 146.190 -2.099 0 30 AAAC CN(C)[n+]1noc(O)c1C#N 196453572 LYLVBHLARCFCAY-UHFFFAOYSA-O 155.137 -1.263 0 30 AAAC CN[C@@H](CNCCN(C)C)C(=O)O 258575930 DNNYAIOOFKSVEB-ZETCQYMHSA-N 189.259 -1.190 0 30 AAAC CN1C[C@@H](N)CCS1(=O)=O 2265385799 WDNUKNGNJARQDU-YFKPBYRVSA-N 164.230 -1.021 0 30 AAAC N[C@@H]1[C@H](O)CO[C@H](O)[C@H]1O 39048354 RWBZBZPUFHHHCU-MBMOQRBOSA-N 149.146 -2.616 0 30 AAAC Nc1nc(=O)c2[nH]cnc2n1N 15265503 CXLCQQOLOJZNIH-UHFFFAOYSA-N 166.144 -1.584 0 30 AAAC N[C@@H]1[C@H](O)C[C@H](CO)[C@H](O)[C@@H]1O 196412788 PFDAVRXLZIYAFH-BNWJMWRWSA-N 177.200 -2.591 0 30 AAAC O=C1O[C@H]2[C@@H](O[C@@H](O)[C@@H]2O)[C@@H]1O 34380765 OGLCQHRZUSEXNB-OVVNHJGKSA-N 176.124 -2.649 0 30 AAAC in-vitro O=C1NC(=O)C2=C1NCCN2 105382037 CDGMEVINJUWYLB-UHFFFAOYSA-N 153.141 -1.953 0 30 AAAC C1NN[C@@H]2[C@@H]1[C@H]1NC[C@@H]12 100304373 SCNQWDYBCDVXIX-BXKVDMCESA-N 125.175 -1.319 0 30 AAAC CCn1c(=O)[nH][nH]c1=O 5688642 FTLPCUOUNXWZMN-UHFFFAOYSA-N 129.119 -1.115 0 30 AAAC CN1C(=O)[C@@H](O)N(C)C(=O)[C@@H]1O 39113938 BMRAIUZOEQBBAN-MYNUVTBMSA-N 174.156 -2.446 0 30 AAAC CCOC(=O)[C@H]1C[C@@H](O)C(=O)N1 39116194 UZPRGYWLTRWGFD-RFZPGFLSSA-N 173.168 -1.201 0 30 AAAC CNC(=O)[C@@H](N)C(C)=O 95923424 MALQWCHJFRNCOD-BYPYZUCNSA-N 130.147 -1.351 0 30 AAAC C[C@@](O)(CN)CO 88189534 RBOBRXOSWNUVEJ-SCSAIBSYSA-N 105.137 -1.312 0 30 AAAC in-vitro OCCOCO 33505912 ONSWVOSXVUHESJ-UHFFFAOYSA-N 92.094 -1.055 0 30 AAAC NC[C@@H](N)CO 22590238 QHBWSLQUJMHGDB-GSVOUGTGSA-N 90.126 -1.735 0 30 AAAC in-vitro C[C@@H](C(=O)O)S(N)(=O)=O 42521207 QFRAXSIOVXHFED-REOHCLBHSA-N 153.159 -1.252 0 30 AAAC CN(C[C@@H](O)CO)N=O 5965735 YHOZMWRNWDWYKJ-SCSAIBSYSA-N 134.135 -1.047 0 30 AAAC CO[C@H]1[C@@H](O)[C@H](O)[C@H](O)O[C@@H]1C 14686113 OMQXLHQOYBBLDL-VOQCIKJUSA-N 178.184 -1.540 0 30 AAAC COC(=O)[C@@H]1CC(=O)N(C2CNC2)C1 215539691 YJLDVCLFARYUGI-ZCFIWIBFSA-N 198.222 -1.020 0 30 AAAC NC1CNCCNC1 26896722 RVBVQBYYWQSUAB-UHFFFAOYSA-N 115.180 -1.494 0 30 AAAC in-vitro O=C1NC(=O)N(CCO)C1=O 39081207 DJMPQFPACCOZLI-UHFFFAOYSA-N 158.113 -1.943 0 30 AAAC NC[C@H](O)[C@H](O)CO 2047158 WIFPJDJJFUSIFP-IUYQGCFVSA-N 121.136 -2.341 0 30 AAAC OC1CNCCNCCNC1 29557050 CZWGAWZIGFITBI-UHFFFAOYSA-N 159.233 -1.870 0 30 AAAC C[C@@H]1NC(=O)CN(CC(N)=O)C1=O 90586217 BQJGXHINDPNZJT-BYPYZUCNSA-N 185.183 -2.181 0 30 AAAC C[C@H]1NC(=O)[C@@H](CC(=O)O)NC1=O 33961608 RVLCUCVJZVRNDC-QWWZWVQMSA-N 186.167 -1.536 0 30 AAAC CNCCCOC[C@H](O)CN 39136087 OBISHMSROWOEJY-SSDOTTSWSA-N 162.233 -1.068 0 30 AAAC CN(N)c1c/c(=N/N)nc[nH]1 39134923 GQVUYVCFRXMBPA-UHFFFAOYSA-N 154.177 -1.506 0 30 AAAC O=C1N(CO)CNCN1CO 31319449 PEFFWBKKAGDQJR-UHFFFAOYSA-N 161.161 -1.872 0 30 AAAC CO[C@]12C[C@H](CN)O[C@H]1NC(=O)N2 223508805 ZQUVIMMCBFDKQI-WYDQCIBASA-N 187.199 -1.284 0 30 AAAC N[C@@H](CCNC(=O)C(=O)O)C(=O)O 1531039 DSBZQNMJXKJWTO-VKHMYHEASA-N 190.155 -2.011 0 30 AAAC biogenic,in-vitro N[C@H]1CS(=O)(=O)N=C1O 29208475 YNGHWOLHQBCKHS-REOHCLBHSA-N 150.159 -1.386 0 30 AAAC O[C@H]1SC[C@@H](O)[C@@H](O)[C@@H]1O 81968994 QWVJFKXOINHVGD-MBMOQRBOSA-N 166.198 -1.866 0 30 AAAC C1NCC1N1CCN(C2COC2)CC1 686001045 HLMRVDKHGASOHG-UHFFFAOYSA-N 197.282 -1.025 0 30 AAAC N[C@H]1C(=O)N[C@@H]1C(=O)O 84306576 NTCFPWFFFBNPOB-NCGGTJAESA-N 130.103 -2.103 0 30 AAAC COC(=O)[C@H]1ONC(=O)[C@@H]1N 39087190 LMHIDWBMJKKSQB-GBXIJSLDSA-N 160.129 -2.083 0 30 AAAC CNC(=O)CNC[C@@H](C)NC(C)=O 39125818 PHVIQRQQDJCZQK-ZCFIWIBFSA-N 187.243 -1.153 0 30 AAAC O=C1O[C@H]([C@@H](O)CO)C[C@@H]1O 147340790 NSEFGBGANVMEIR-YUPRTTJUSA-N 162.141 -1.984 0 30 AAAC C[C@@H]1CN[C@H]2NC(N)=NC(=O)[C@@H]2N1 39114411 GRGWASDEOIBWJS-WDCZJNDASA-N 183.215 -2.293 0 30 AAAC N[C@H]1C[C@@H](O)[C@@H](O)[C@H](O)C1 104643221 AXMSGOJNFYQSIT-KVTDHHQDSA-N 147.174 -1.810 0 30 AAAC CN1CCNS(=O)(=O)CC1 144868791 GXKRYMMKKFICFQ-UHFFFAOYSA-N 164.230 -1.149 0 30 AAAC OB1OCCNCCO1 195811943 ZGHXEEFARUMNRD-UHFFFAOYSA-N 130.940 -1.400 0 30 AAAC N[C@@]1(C(=O)O)[C@@H]2C[C@H](C[C@H]2O)[C@H]1O 256415544 DXHGEDISXCJDCW-FBXMPTEYSA-N 187.195 -1.470 0 30 AAAC CN1[C@H](CN)CCS1(=O)=O 238337403 OXNDZRMJSBSWLA-YFKPBYRVSA-N 164.230 -1.021 0 30 AAAC C[C@@H]1C(=O)NC(=O)N[C@@H]1O 6067027 IXLRNGYVHSNFAY-STHAYSLISA-N 144.130 -1.220 0 30 AAAC OC[C@H]1OC[C@@H](O)[C@H]1O 27736180 KZVAAIRBJJYZOW-UOWFLXDJSA-N 134.131 -1.901 0 30 AAAC NC(=O)[C@@H]1CC[C@@H](N)[C@H](O)C1 39060139 QNCHEEQTSQGFAJ-HSUXUTPPSA-N 158.201 -1.040 0 30 AAAC OC[C@H]1O[C@@H]1CO 1666452 PENWRXZLRDTNBI-QWWZWVQMSA-N 104.105 -1.262 0 30 AAAC CC(=O)[C@H](O)[C@@H](O)C(C)=O 2016469 RQDWELNLPMBYMA-WDSKDSINSA-N 146.142 -1.114 0 30 AAAC N[C@@H]1C=C[C@@H](O)[C@@H](O)[C@@H]1O 28470051 RAJLHDDMNNFKNT-KVTDHHQDSA-N 145.158 -2.034 0 30 AAAC N[C@@H]1C=C[C@H](O)[C@@H](O)[C@H]1O 38220240 RAJLHDDMNNFKNT-DPYQTVNSSA-N 145.158 -2.034 0 30 AAAC OCOCC1(CO)COCOC1 38646513 DKNIFLGCIMSZGQ-UHFFFAOYSA-N 178.184 -1.064 0 30 AAAC O[C@H]1[C@@H]2C[C@H]([C@H](O)[C@@H]2O)[C@H]1O 100065477 YPVXKWXMBKRJEB-CHKYXYAASA-N 160.169 -1.920 0 30 AAAC NCCN(CCO)CCCO 90740617 CBWWDLVUGQLJRL-UHFFFAOYSA-N 162.233 -1.378 0 30 AAAC O=[N+]([O-])O[C@@H]1CO[C@@H]2[C@H](O)CO[C@@H]12 3830966 YWXYYJSYQOXTPL-KAZBKCHUSA-N 191.139 -1.278 0 30 AAAC CN(C)[C@H](CO)C(N)=O 34318481 VTXPZVSCKQOHJD-SCSAIBSYSA-N 132.163 -1.606 0 30 AAAC CN[C@H]1NN[C@H](S(N)(=O)=O)S1 39054595 DCTBCYCSLBOHRF-HRFVKAFMSA-N 198.273 -2.098 0 30 AAAC CN[C@@H]1NN[C@@H](S(N)(=O)=O)S1 39054596 DCTBCYCSLBOHRF-PWNYCUMCSA-N 198.273 -2.098 0 30 AAAC OCC1=N[C@H](CO)[C@@H](O)[C@@H]1O 39115742 YACWZQLEGQUPOG-UYFOZJQFSA-N 161.157 -2.484 0 30 AAAC N[C@@H](Cc1c[nH]c(=O)[nH]1)C(=O)O 6090926 KXHSJJRXZAKKRP-BYPYZUCNSA-N 171.156 -1.343 0 30 AAAC NC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C=O 111891615 HDXVFGYNQCBFKD-MOJAZDJTSA-N 179.172 -3.412 0 30 AAAC NC[C@H](O)CNC(N)=O 238806043 JEJJWMKLWOIIGG-VKHMYHEASA-N 133.151 -2.026 0 30 AAAC CO[C@@H]1O[C@H](CN)C[C@H](O)[C@H]1O 39089956 DVBYBXUVLOMEQG-VWDOSNQTSA-N 177.200 -1.572 0 30 AAAC O=C1NC(=O)C(=O)[C@H](O)N1 100071179 QDGZKCSFHGNRFP-REOHCLBHSA-N 144.086 -2.287 0 30 AAAC CCOC(=O)CNCC(N)=O 20056929 WLCXPXJYJJHALU-UHFFFAOYSA-N 160.173 -1.376 0 30 AAAC in-vitro NC(=O)[C@@H]1C[C@@H](O)CN1N=O 39065456 ONWBZNUSIZRZMT-DMTCNVIQSA-N 159.145 -1.412 0 30 AAAC O=C1C[C@H]2COC[C@@H](CN1)N2 2265384971 LVUXKXWBBFRKMA-NTSWFWBYSA-N 156.185 -1.137 0 30 AAAC OC[C@H](O)COC[C@H]1CO1 5134886 RCXHRHWRRACBTK-WDSKDSINSA-N 148.158 -1.245 0 30 AAAC NC(=O)[C@H](N)[C@H]1CCOC1 37870617 MJXBRSNXTFSIDJ-CRCLSJGQSA-N 144.174 -1.165 0 30 AAAC in-vitro CN1CC(=O)N2C[C@H](O)C[C@H]2C1=O 34407782 RPAGCRFOZDSNSZ-RITPCOANSA-N 184.195 -1.580 0 30 AAAC COC(=O)C[C@H]1C(=O)NCCN1C 39115158 MAYOTZLCZRVRFO-LURJTMIESA-N 186.211 -1.020 0 30 AAAC NCCn1cc[nH]c(=O)c1=O 95883799 BFLNYUTZQVAING-UHFFFAOYSA-N 155.157 -1.505 0 30 AAAC COC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O 13514898 QWJKEQVWXSYDJA-PZRMXXKTSA-N 194.183 -2.567 0 30 AAAC COC(=O)N[C@@H](CCCN)C(N)=O 45820207 LQEKEIBHQVQXRB-YFKPBYRVSA-N 189.215 -1.065 0 30 AAAC Cn1nnc(C[C@@H](N)C(N)=O)n1 236156049 JYXPVQYYBRTFIC-GSVOUGTGSA-N 170.176 -2.435 0 30 AAAC CN(C)C(=O)[C@@H](O)CO 39078052 HVHUPNWOXYKWCC-BYPYZUCNSA-N 133.147 -1.572 0 30 AAAC CNCC[C@@H](O)CO 59189623 ZQNSAAQTUHTYCK-RXMQYKEDSA-N 119.164 -1.051 0 30 AAAC C[C@@H](CN)S(N)(=O)=O 82631468 LQVAQUHURBYBSG-VKHMYHEASA-N 138.192 -1.378 0 30 AAAC in-vitro OC[C@@H]1C[C@H](O)[C@@H](O)[C@H](O)O1 5851334 HDEMQQHXNOJATE-UNTFVMJOSA-N 164.157 -2.192 0 30 AAAC in-vivo O=C(O)[C@@H]1CNC[C@@H](C(=O)O)N1 33799775 AHWWYXLUWXDFLF-IMJSIDKUSA-N 174.156 -1.914 0 30 AAAC O=C1CC[C@H](O)[C@H](O)CN1 39058917 ZQBBYLAQPWMOAV-CRCLSJGQSA-N 145.158 -1.382 0 30 AAAC C1NNC2(CNNC2)N1 39095920 ZNKFENJIRBEQLK-UHFFFAOYSA-N 129.167 -2.555 0 30 AAAC CO[C@@H]1CNC[C@@H](CO)O1 72179439 BLCNYFFKDWCFNU-WDSKDSINSA-N 147.174 -1.060 0 30 AAAC OC[C@@H]1[C@H](O)[C@H](O)[C@H]2[C@@H](O)CCN12 14806370 AIQMLBKBQCVDEY-RZUNNTJFSA-N 189.211 -2.482 0 30 AAAC biogenic CO[C@H](CO)OCCO 137567393 PADZQGJLBROXLI-YFKPBYRVSA-N 136.147 -1.040 0 30 AAAC OC[C@H]1NNC[C@H](O)[C@@H]1O 39059111 PPPMSBCQTLJPKM-MROZADKFSA-N 148.162 -2.823 0 30 AAAC CN1CCNC(=O)[C@H]1CC(N)=O 39113731 NTLDPPWCRMNMNF-RXMQYKEDSA-N 171.200 -1.708 0 30 AAAC Cn1nnnc1CCN 62494682 BISZDZMWCWTPFO-UHFFFAOYSA-N 127.151 -1.289 0 30 AAAC in-vitro CN(C)S(=O)(=O)NC1CNC1 85256436 YDNQTDFDVKTRGA-UHFFFAOYSA-N 179.245 -1.646 0 30 AAAC NOCC(N)=O 34196188 VTRGCUISDBTZIB-UHFFFAOYSA-N 90.082 -1.638 0 30 AAAC CC1=C(C(N)=O)[C@@](C)(N)CC(=O)N1 90660665 LHDXJPNRNDAPTK-QMMMGPOBSA-N 183.211 -1.017 0 30 AAAC CC(C)OC(=O)[C@H](O)[C@H](O)C(=O)O 136711475 SSZYZSRPAKZEIB-CRCLSJGQSA-N 192.167 -1.256 0 30 AAAC C[C@@H]1CN=c2nc(N)[nH]c(=O)c2=N1 13512227 QARNTSWBYSPKTL-GSVOUGTGSA-N 179.183 -2.007 0 30 AAAC OC[C@@H]1C[C@H](O)[C@H](O)[C@H](O)[C@@H]1O 221719420 TVKYRGWJELUGNG-NEVCITSRSA-N 178.184 -2.558 0 30 AAAC O=C1[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H]1O 253793170 VYEGBDHSGHXOGT-DCTUXMIOSA-N 178.140 -3.626 0 30 AAAC NC(=O)C[C@@H]1NC(=O)CNC1=O 39113729 RJTBTNYUNKJQAA-VKHMYHEASA-N 171.156 -2.524 0 30 AAAC NC[C@@]1(CO)COCCN1 536949735 RIGYDJPONGQAFQ-ZCFIWIBFSA-N 146.190 -1.704 0 30 AAAC CNC(=O)N[C@H](NC(C)=O)C(=O)O 45820128 KWRRIPZEXQNSQG-BYPYZUCNSA-N 189.171 -1.538 0 30 AAAC O=C(O)B[C@](O)(CC(=O)O)C(=O)O 263584529 VQDDBHBYZNUJIM-YFKPBYRVSA-N 189.916 -1.651 0 30 AAAC O=C(O)C[C@@H](O)CO 3593481 DZAIOXUZHHTJKN-GSVOUGTGSA-N 120.104 -1.186 0 30 AAAC endogenous,in-man N[C@H](CO)C1COC1 107395544 NUTOBRVPKDFQLQ-RXMQYKEDSA-N 117.148 -1.048 0 30 AAAC NN[C@@H]1COC[C@H]1O 143447788 JEMMBNSWLYSWEU-QWWZWVQMSA-N 118.136 -1.791 0 30 AAAC CO[C@@H]1[C@@H](O)N(CO)C(=O)N1CO 5701314 DDTMTHCUKRELBA-RFZPGFLSSA-N 192.171 -2.086 0 30 AAAC CN(C)C(=O)[C@H](O)CO 39078051 HVHUPNWOXYKWCC-SCSAIBSYSA-N 133.147 -1.572 0 30 AAAC N[C@H]1CCS(=O)(=O)[C@@H](C(=O)O)C1 257888539 WPZVIQKTBVRXTE-CRCLSJGQSA-N 193.224 -1.025 0 30 AAAC OC[C@H]1C[C@@H](O)[C@@H](O)O1 13436362 ZUYIBYOYYUXIGY-WDCZJNDASA-N 134.131 -1.553 0 30 AAAC CO[C@H]1O[C@H](CO)C[C@H](O)[C@@H]1O 35645171 ARNZRNVPEASSLV-AXMZGBSTSA-N 178.184 -1.538 0 30 AAAC OCCNCC1CNC1 104531379 WWXXMJJYXAXHMX-UHFFFAOYSA-N 130.191 -1.212 0 30 AAAC N[C@H]1[C@H](O)[C@H](O)[C@@H](CO)C[C@H]1O 307625403 PFDAVRXLZIYAFH-GKHCUFPYSA-N 177.200 -2.591 0 30 AAAC CN1C(=O)NC(=O)[C@@H]1O 1492996 UPSFNXFLBMJUQW-VKHMYHEASA-N 130.103 -1.514 0 30 AAAC investigational CC1(C)CN(O)[C@H](C(N)=O)CN1 39113884 PHJIFTVHBTUUCQ-YFKPBYRVSA-N 173.216 -1.087 0 30 AAAC NCCCC[C@H](N)C(=O)OCCN 83428674 RHMJDCIYQZFNMK-ZETCQYMHSA-N 189.259 -1.055 0 30 AAAC O=C1NC(=O)[C@H]2COC[C@H]2N1 85353639 SRSPFWOKSKHKQP-IUYQGCFVSA-N 156.141 -1.159 0 30 AAAC CC(=O)N[C@@H]1C[C@H](CO)[C@H](O)[C@H]1O 257352312 KJFMWZCEHSQWQV-NGJRWZKOSA-N 189.211 -1.775 0 30 AAAC N[C@@H](CCOCCO)C(=O)O 700375675 PCAVPUDANZEGGH-YFKPBYRVSA-N 163.173 -1.203 0 30 AAAC CC(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O 5114220 JEJJSUSQDDAEKQ-ZETCQYMHSA-N 196.210 -1.058 0 30 AAAC in-vitro COC(=O)[C@H](F)[C@H](N)C(=O)O 1574176 TWWCVGNMYCSRFX-GBXIJSLDSA-N 165.120 -1.091 0 30 AAAC O=C1CCNC[C@@H]1O 2524897 LYOGWMOAEKBTII-YFKPBYRVSA-N 115.132 -1.090 0 30 AAAC in-vitro C[C@H]1OC(=O)N[C@@H]1C(N)=O 39064449 OZUMGDRFPHYVDR-GBXIJSLDSA-N 144.130 -1.031 0 30 AAAC NNCCS(N)(=O)=O 20470614 MNCLHDDODHEKNX-UHFFFAOYSA-N 139.180 -2.262 0 30 AAAC in-vitro CN1C(=O)C(=O)N[C@H]2N=CN=C[C@H]21 96336355 LJZUNCZQSQESRP-RFZPGFLSSA-N 180.167 -1.618 0 30 AAAC Cn1c(=O)c2c(ncn2O)n(C)c1=O 2004515 OAJZHQGFGXPEPA-UHFFFAOYSA-N 196.166 -1.329 0 30 AAAC C[C@H](O)CNCCNCCN 19366457 TYJJJZBLPWLKNN-ZETCQYMHSA-N 161.249 -1.495 0 30 AAAC CC(=O)N[C@H]1C(=O)COC1=O 137994638 JNOFRLWIIDAOFL-YFKPBYRVSA-N 157.125 -1.383 0 30 AAAC C[C@@H]1CN(C=O)[C@@H](O)[C@H](O)N1C=O 39115354 SAYDIOJUYWQANF-VQVTYTSYSA-N 188.183 -2.058 0 30 AAAC O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2N1 196250221 NNWORFCIWXFPGX-UHNVWZDZSA-N 175.209 -1.081 0 30 AAAC CC(=O)NC(=O)N1CCNC(=O)C1 196530523 FGQJKIMZRVCIRO-UHFFFAOYSA-N 185.183 -1.326 0 30 AAAC N=C(N)NCCCO 5828698 JDXXTKLHHZMVIO-UHFFFAOYSA-N 117.152 -1.148 0 30 AAAC in-vivo NNC[C@@H](O)CN1CCOCC1 19170156 QYBPJTWZQPDNTH-SSDOTTSWSA-N 175.232 -1.857 0 30 AAAC CO[C@H]1NC(=O)N[C@H]1O 33637226 FIGXZOBRWFEACW-STHAYSLISA-N 132.119 -1.410 0 30 AAAC CN1C(=O)C(=O)N[C@@H]2N=CN=C[C@H]21 96336357 LJZUNCZQSQESRP-UHNVWZDZSA-N 180.167 -1.618 0 30 AAAC NC[C@@H](O)[C@@H](O)CO 33610361 WIFPJDJJFUSIFP-DMTCNVIQSA-N 121.136 -2.341 0 30 AAAC CCn1c(N)c(N)c(=O)[nH]c1=O 37737564 HEXZSEOAILCDMD-UHFFFAOYSA-N 170.172 -1.279 0 30 AAAC in-vitro CN1C(=O)[C@H]2NCN[C@H]2N(C)C1=O 209354424 UBNFVIOYSNCMBL-WHFBIAKZSA-N 184.199 -1.645 0 30 AAAC OCCN[C@H]1CNC[C@H]1O 39058935 MLPMDQRKVXXUIX-NTSWFWBYSA-N 146.190 -2.099 0 30 AAAC CC(=O)C1=NN(C)[C@](N)(O)C1=O 39069450 QAXDPDUEEDBPCV-LURJTMIESA-N 171.156 -1.949 0 30 AAAC N[C@@H](CC(=O)O)[C@H](O)C(=O)O 13353957 FYEASJKRDJYNDI-OKKQSCSOSA-N 163.129 -1.766 0 30 AAAC biogenic,in-vitro C[C@@H](NCCN)N1CCNCC1 19322289 NBVFZTVREXMIIP-QMMMGPOBSA-N 172.276 -1.214 0 30 AAAC O=C1C[C@@H]2C(=O)NCCN2C(=O)N1 39114463 BZFHSFDFARATKI-SCSAIBSYSA-N 183.167 -1.573 0 30 AAAC NCCCC[C@@H]1NC(=O)CNC1=O 39115125 OGQVYQIZUYYYKI-LURJTMIESA-N 185.227 -1.270 0 30 AAAC C1=CNC=c2cncnc2=N1 39053233 YLFANUMKAWUDAV-UHFFFAOYSA-N 146.153 -1.091 0 30 AAAC N[C@H]1CNC[C@@H]1N 39365684 WCOQAGPRGRKKLM-IMJSIDKUSA-N 101.153 -1.756 0 30 AAAC in-vitro C[C@](O)(CN)CO 88189535 RBOBRXOSWNUVEJ-BYPYZUCNSA-N 105.137 -1.312 0 30 AAAC in-vitro OCC[C@H]1CNC[C@@H](CCO)N1 39113918 NVIJLVAUKMTVLO-OCAPTIKFSA-N 174.244 -1.319 0 30 AAAC NS(=O)(=O)NC[C@@H]1CCCCN1 12506584 YFDNSOTZYQZYQP-LURJTMIESA-N 193.272 -1.078 0 30 AAAC CO[C@H]1[C@@H](O)OC[C@@H](O)[C@@H]1O 14593937 UAXFCDNRLADBDZ-MOJAZDJTSA-N 164.157 -1.928 0 30 AAAC N[C@@H]1CO[C@H](O)[C@H](O)[C@@H]1O 39059114 OEVMNXDFKAZCIM-AIHAYLRMSA-N 149.146 -2.616 0 30 AAAC NC(=O)c1c[nH]c(=O)[nH]c1=O 13518110 JZMIWYJRKUBQCS-UHFFFAOYSA-N 155.113 -1.838 0 30 AAAC C[C@@H](O)[C@H]1NC(=O)CNC1=O 14451352 QPENGVPAWUAJDV-NQXXGFSBSA-N 158.157 -2.018 0 30 AAAC OC[C@H]1CNC[C@H](CO)O1 104708823 GETXODYPLYGMHT-PHDIDXHHSA-N 147.174 -1.672 0 30 AAAC OC[C@@H](O)COB(O)O 196203751 QFSNCROGCLRZHC-GSVOUGTGSA-N 135.912 -2.674 0 30 AAAC CO[C@@H]1CNC[C@H](O)[C@@H]1O 27644664 CMFIEBJULIYBDQ-JKUQZMGJSA-N 147.174 -1.674 0 30 AAAC O=C1C[C@H]2C(=O)NCCN2C(=O)N1 39114462 BZFHSFDFARATKI-BYPYZUCNSA-N 183.167 -1.573 0 30 AAAC CC(=O)[C@@H](CN)S(=O)(=O)O 59640863 MYUBFYSFIKGYSS-SCSAIBSYSA-N 167.186 -1.210 0 30 AAAC COC(=O)[C@](C)(N)CN 95931594 PVGQUBKVBPGUPH-RXMQYKEDSA-N 132.163 -1.165 0 30 AAAC O=C1NC(=O)[C@@H]2C=C(CO)[C@@H]12 100049536 VWYPPACEJLSUBL-RFZPGFLSSA-N 153.137 -1.193 0 30 AAAC COCNS(=O)(=O)O 5701199 YXDKXFJCQWRBMO-UHFFFAOYSA-N 141.148 -1.017 0 30 AAAC CCOC(=O)[C@H](O)[C@@H](O)C(=O)O 5856803 ZUDZWKJBYZAGBS-QWWZWVQMSA-N 178.140 -1.644 0 30 AAAC in-vitro CC(=O)[C@H](CN)S(=O)(=O)O 59640866 MYUBFYSFIKGYSS-BYPYZUCNSA-N 167.186 -1.210 0 30 AAAC C1COC2(CNNC2)N1 39095896 JDBCAHCHLQBCDQ-UHFFFAOYSA-N 129.163 -1.590 0 30 AAAC CN1c2nc[nH]c2C(=O)N[C@@H]1O 45821179 VWLPWVZZYHNADQ-LURJTMIESA-N 168.156 -1.135 0 30 AAAC N[C@@]1(C(=O)O)[C@@H]2C[C@H](C[C@H]2O)[C@@H]1O 256415540 DXHGEDISXCJDCW-BFHATVPZSA-N 187.195 -1.470 0 30 AAAC O=S(=O)(CCO)c1nnc[nH]1 306555013 KYZCSMXBYKAMAW-UHFFFAOYSA-N 177.185 -1.429 0 30 AAAC N[C@H]1C[C@@H](C(=O)O)[C@@H](CO)[C@@H]1CO 39083410 AINPXDXTASBUPL-JWXFUTCRSA-N 189.211 -1.365 0 30 AAAC NC(=O)N1CCN(C2CNC2)CC1 39114478 VHQKEKALSKINIG-UHFFFAOYSA-N 184.243 -1.346 0 30 AAAC O[C@@H]1[C@H]2OC[C@@H](O2)[C@H]2O[C@@H]12 100516830 NDCSJPPJAVCLMI-RDQKPOQOSA-N 144.126 -1.130 0 30 AAAC in-vitro O=C1C(=O)N(CO)CCN1CO 39113909 ANCDPTCUGLSMJJ-UHFFFAOYSA-N 174.156 -2.443 0 30 AAAC CN1CCN[C@H](CO)C1=O 211747644 YXNUSEWANCQVMM-RXMQYKEDSA-N 144.174 -1.591 0 30 AAAC CN(CC(=O)O)C[C@H](O)CO 39058339 PMSRESSOZRBDAN-YFKPBYRVSA-N 163.173 -1.644 0 30 AAAC CN(C)CC1(O)CNC1 211940590 YECJWPNDHRDXFI-UHFFFAOYSA-N 130.191 -1.118 0 30 AAAC C[C@@H](O)C(=O)NCO 1671406 LBEKTNDJBSEURC-GSVOUGTGSA-N 119.120 -1.567 0 30 AAAC N[C@H](CCc1nnn[nH]1)C(=O)O 27546626 DXFDIQNGJWQJGA-GSVOUGTGSA-N 171.160 -1.456 0 30 AAAC N[C@@H](C(=O)O)[C@H]1NC(=O)C1=O 117798034 URSDAALZRFSDMA-JCYAYHJZSA-N 158.113 -2.534 0 30 AAAC N[C@@]12C(=O)O[C@H]([C@H](O)[C@@H]1O)[C@@H]2O 263589788 RSYKIKAAVPPJOK-JWKHNPINSA-N 175.140 -3.294 0 30 AAAC OC[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@@H](O)CCN12 3786134 AIQMLBKBQCVDEY-OZRXBMAMSA-N 189.211 -2.482 0 30 AAAC in-vitro CCOC(=O)[C@@H](N)c1nnn[nH]1 75423181 CIDMRTBBBHQUDF-VKHMYHEASA-N 171.160 -1.237 0 30 AAAC N[C@@H]1CCS(=O)(=O)[C@@H](C(=O)O)C1 257888542 WPZVIQKTBVRXTE-RFZPGFLSSA-N 193.224 -1.025 0 30 AAAC COC(=O)C(=O)C(=O)N(C)C 39081239 ZAXAPNXYXZRFPG-UHFFFAOYSA-N 159.141 -1.183 0 30 AAAC NC(=O)c1nnc2n1CCNCC2 39325890 UORXVMFTDNRXSR-UHFFFAOYSA-N 181.199 -1.477 0 30 AAAC COC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O 15657770 QWJKEQVWXSYDJA-VOQCIKJUSA-N 194.183 -2.567 0 30 AAAC O=C(O)[C@@H]1C[C@@H](O)C(=O)O1 39065842 BVZWHKDKWJZNOW-GBXIJSLDSA-N 146.098 -1.253 0 30 AAAC N[C@@]12C(=O)O[C@H]([C@H](O)[C@H]1O)[C@@H]2O 263589784 RSYKIKAAVPPJOK-BKBMJHBISA-N 175.140 -3.294 0 30 AAAC N[C@H](Cc1c[nH]c(=O)[nH]1)C(=O)O 6090927 KXHSJJRXZAKKRP-SCSAIBSYSA-N 171.156 -1.343 0 30 AAAC OC[C@H](O)[C@H]1COCCN1 757121462 OUQSPRFHDKCKQO-RITPCOANSA-N 147.174 -1.672 0 30 AAAC NCCN1CCN(CC(=O)O)CC1 39115256 PHXRLXSFXHFCPA-UHFFFAOYSA-N 187.243 -1.353 0 30 AAAC CN1CCN(C)[C@H](CC(N)=O)C1=O 39115073 NVHSBECJDNGEPC-ZCFIWIBFSA-N 185.227 -1.366 0 30 AAAC OC[C@H](O)CN1CC[C@@H](O)C1 115967672 LVNHFJFINQPLPD-RNFRBKRXSA-N 161.201 -1.594 0 30 AAAC N[C@@H]1CCC[C@H]2C(=O)NNC(=O)[C@H]12 575447517 CKIYNDXCWOQCIL-PBXRRBTRSA-N 183.211 -1.109 0 30 AAAC C[C@H]1[C@@H](N)C(=O)N1c1nnn[nH]1 39082574 HJDBJKGPDBNFLD-STHAYSLISA-N 168.160 -1.738 0 30 AAAC O=C1OC[C@@H]2[C@H](O)CNC[C@H]12 91692618 RNNCLROQDOOSOR-HCWXCVPCSA-N 157.169 -1.260 0 30 AAAC O=C(O)[C@@H]1C[C@@H](C(=O)O)N1 2560277 JMVIGOFRIJJUAW-HRFVKAFMSA-N 145.114 -1.114 0 30 AAAC in-vitro CC(C)[C@@H]1NC(=O)[C@H](CO)NC1=O 34599489 NJFKZURMUGDZGV-WDSKDSINSA-N 186.211 -1.382 0 30 AAAC biogenic NCCC[C@@H]1NC(=O)CNC1=O 39113726 IYSOOSHWCGUPCP-YFKPBYRVSA-N 171.200 -1.660 0 30 AAAC CC(=O)N1C(=O)NC(=O)[C@H]1O 39070663 VHIFYFPCJVVECI-SCSAIBSYSA-N 158.113 -1.597 0 30 AAAC O[C@@H]1[C@H]2OC[C@@H](O2)[C@H]2O[C@H]12 100469368 NDCSJPPJAVCLMI-RXRWUWDJSA-N 144.126 -1.130 0 30 AAAC in-vitro O[C@@H]1[C@@H](CF)O[C@@H](O)[C@H](O)[C@@H]1O 3956758 SHFYXYMHVMDNPY-QZABAPFNSA-N 182.147 -2.244 0 30 AAAC C[C@H](O)C(=O)OCCO 6020222 YVOWOLLEVWDWOH-BYPYZUCNSA-N 134.131 -1.097 0 30 AAAC in-vitro C[C@@H]1NC(=O)[C@@H](CON)NC1=O 96333748 NEPHRNHDXGKJEN-IUYQGCFVSA-N 173.172 -2.120 0 30 AAAC OC[C@@H]1C[C@@H](CO)CN1 146584692 IFOUUUVIVGFWGY-RITPCOANSA-N 131.175 -1.051 0 30 AAAC C[C@@H](CO)N(CCO)CCO 39081773 DNDBXYWKDTXSPJ-ZETCQYMHSA-N 163.217 -1.346 0 30 AAAC N=C(N)NN1CCN(CCO)CC1 39115255 XNJDGOKRIRWQJR-UHFFFAOYSA-N 187.247 -2.006 0 30 AAAC O=C(O)Cn1nc2n(c1=O)CCOC2 74942488 QXWHDSPMBIHHBG-UHFFFAOYSA-N 199.166 -1.340 0 30 AAAC O=C1CNCC[C@@]2(CCNC2)N1 2265385454 ZRLIVBRHZNSMKG-QMMMGPOBSA-N 169.228 -1.172 0 30 AAAC CN(C)C(=O)[C@H]1C[C@H](O)CN1 20434468 ZOHZTBXVKULCNB-NTSWFWBYSA-N 158.201 -1.203 0 30 AAAC OC[C@]12C[C@H]1[C@@H](O)[C@@H](O)[C@H]2O 39060468 DIWQFXXNLOLMBN-CQOGJGKDSA-N 160.169 -1.919 0 30 AAAC C[C@@H](N)CS(N)(=O)=O 79962283 GUNGEZIOCUKWHN-GSVOUGTGSA-N 138.192 -1.378 0 30 AAAC Nc1nc(N)c(N)[n+]([O-])c1N 39059765 QXSUFAUBGUBOPP-UHFFFAOYSA-N 156.149 -1.956 0 30 AAAC COC[C@@H](O)CON 145108956 PJOCRKSXKKGYCO-SCSAIBSYSA-N 121.136 -1.116 0 30 AAAC NCCN[C@@H](CC(=O)O)C(=O)O 98090064 PDDUTYPDHMQVSU-BYPYZUCNSA-N 176.172 -1.537 0 30 AAAC C1NN[C@H]2[C@H]1[C@@H]1CN[C@@H]21 100079526 WEPFXYDJQOSLPB-KCDKBNATSA-N 125.175 -1.319 0 30 AAAC CS(=O)(=O)N1CCN(N)CC1 39114168 RWRDTPMJNKGMLD-UHFFFAOYSA-N 179.245 -1.563 0 30 AAAC in-vitro CC[C@H]1NC(=O)C(=O)NC1=O 223723569 WQAMXCDIEHUZDD-GSVOUGTGSA-N 156.141 -1.462 0 30 AAAC O=[N+]([O-])N1CCn2nnnc21 21996808 FRPKRTDWHLMWOU-UHFFFAOYSA-N 156.105 -1.315 0 30 AAAC COC(=O)CNCP(=O)(O)O 26723712 YYGUXKOBRVTICK-UHFFFAOYSA-N 183.100 -1.116 0 30 AAAC N=C(N)NC(=O)NC(=N)N 33607431 ISJOITFNXDRNKS-UHFFFAOYSA-N 144.138 -1.927 0 30 AAAC COC(=O)N[C@H](CCCN)C(N)=O 45820209 LQEKEIBHQVQXRB-RXMQYKEDSA-N 189.215 -1.065 0 30 AAAC O=C(O)c1cn(O)c(=O)nc1O 238688139 IMIYZZJJQRVOFA-UHFFFAOYSA-N 172.096 -1.116 0 30 AAAC O=CN(CC(=O)O)CP(=O)(O)O 34187580 WPYWLOUBBQYLCD-UHFFFAOYSA-N 197.083 -1.335 0 30 AAAC C[C@H]1NNC(=S)NC1=O 143646617 GMDOYMBGEAOBIW-UWTATZPHSA-N 145.187 -1.116 0 30 AAAC NC(=O)c1ncc(O)nc1C(N)=O 22005216 VMRQDHNGCIPVSM-UHFFFAOYSA-N 182.139 -1.620 0 30 AAAC OC[C@@H]1CNC[C@H](O)[C@@H]1F 100310051 AMRGLJFRLTZTMG-HCWXCVPCSA-N 149.165 -1.103 0 30 AAAC N[C@@H](CNCC(=O)O)C(=O)O 39058274 KEQFBEHVFFPRIW-VKHMYHEASA-N 162.145 -1.928 0 30 AAAC C1COC2OCCNC2N1 104679212 IQMKBJOMCNODAU-UHFFFAOYSA-N 144.174 -1.122 0 30 AAAC O=C1N[C@H](O)[C@H](O)N1CO 5178901 SYPNXFTUXUIACQ-GBXIJSLDSA-N 148.118 -2.402 0 30 AAAC NCCn1cnnc1N 88189309 ZLNHQZQEMKGHDP-UHFFFAOYSA-N 127.151 -1.181 0 30 AAAC C[C@H]1NC(=O)[C@H](CON)NC1=O 96333750 NEPHRNHDXGKJEN-DMTCNVIQSA-N 173.172 -2.120 0 30 AAAC CNC(=O)NC[C@@H]1CNCCO1 125161106 SLWJHEACBIPHFA-LURJTMIESA-N 173.216 -1.096 0 30 AAAC in-vitro N[C@]12C(=O)O[C@@H]([C@H]1O)[C@H](O)[C@@H]2O 263589786 RSYKIKAAVPPJOK-FOSXNRGSSA-N 175.140 -3.294 0 30 AAAC O=C(O)[C@H]1NC(=O)[C@H](O)[C@@H](O)[C@@H]1O 3785436 YEWOHTVJCCDCCS-NTAGLIMJSA-N 191.139 -3.348 0 30 AAAC in-vitro O=C(O)[C@@H](O)CN1CCOCC1 84444074 XGLLRUJTMQIUHX-LURJTMIESA-N 175.184 -1.236 0 30 AAAC COC(=O)[C@H]1ONC(=O)[C@H]1N 39087191 LMHIDWBMJKKSQB-HRFVKAFMSA-N 160.129 -2.083 0 30 AAAC CO[C@@H]1NC(=O)N(CO)[C@H]1OC 5998317 RLCNRJIGKFHYRP-WHFBIAKZSA-N 176.172 -1.094 0 30 AAAC CC(=O)Nc1ncn([C@@H](O)CO)n1 45820490 YMCGTWMQZPZPKH-YFKPBYRVSA-N 186.171 -1.280 0 30 AAAC CCN1CCN(N)C(=O)C1=O 39113576 YQSSQGXGOQKFBJ-UHFFFAOYSA-N 157.173 -1.449 0 30 AAAC CONC(=O)[C@@H]1CCC(=O)N1 39065248 MOUJBQBGQPWZKN-BYPYZUCNSA-N 158.157 -1.057 0 30 AAAC CN1CCN[C@H]2[C@H]1NCCN2C 39113742 JEHKIJFTWLWGDO-OCAPTIKFSA-N 170.260 -1.291 0 30 AAAC COC[C@H]1CNCC(=O)N1 39120546 OJVSLPDXBRRCMK-RXMQYKEDSA-N 144.174 -1.279 0 30 AAAC O=C(O)[C@@H]1NC[C@@H]2CNC[C@H]21 117667525 WFPPVPZFBXSODQ-KVQBGUIXSA-N 156.185 -1.122 0 30 AAAC O=C1CN(CCO)CC(=O)N1 39113628 XFGLZOQWQOHWTL-UHFFFAOYSA-N 158.157 -2.063 0 30 AAAC CC(=O)NC1=NN(C)C(=O)C1(O)O 39126365 PMFOXRAQOJAATK-UHFFFAOYSA-N 187.155 -2.411 0 30 AAAC NCCNC(=O)CN1C(=O)C=CC1=O 223316985 XKNBSYXFRMCQMV-UHFFFAOYSA-N 197.194 -2.014 0 30 AAAC O=C1N=c2ccccc2=NC1=O 102292770 SEPKUNXLGWMPHL-UHFFFAOYSA-N 160.132 -1.007 0 30 AAAC CNCC(CO)CO 143368817 XQQRDUJIAAHJTQ-UHFFFAOYSA-N 119.164 -1.193 0 30 AAAC NC(=O)C[C@H](O)C(N)=O 5502114 GYNXTHOOAGYMOK-REOHCLBHSA-N 132.119 -2.292 0 30 AAAC N[C@H](CO)[C@H](N)[C@@H](O)CO 96326970 HPGQGFIGUGXJLA-WISUUJSJSA-N 150.178 -3.014 0 30 AAAC CO[C@H](CN)CC(N)=O 215266087 AEBUFXQFNREKLG-BYPYZUCNSA-N 132.163 -1.165 0 30 AAAC in-vitro COC(=O)[C@H]1NC(=O)C[C@H]1O 39115689 BXJPHOKTSOKHNK-WUJLRWPWSA-N 159.141 -1.591 0 30 AAAC N[C@@H](Cc1c[nH]oc1=O)C(=O)O 1484406 LVNJBTYSYFSYFG-BYPYZUCNSA-N 172.140 -1.078 0 30 AAAC investigational C[C@H](C(N)=O)N1CC(=O)NC(=O)C1 58979171 LIPALIAJZQEXFB-SCSAIBSYSA-N 185.183 -2.181 0 30 AAAC Nc1no[n+]([O-])c1C(=O)O 5510646 FWSAMBQAOYUJPJ-UHFFFAOYSA-N 145.074 -1.412 0 30 AAAC C[C@H]1NC(=O)[C@H](CC(=O)O)NC1=O 33961610 RVLCUCVJZVRNDC-DMTCNVIQSA-N 186.167 -1.536 0 30 AAAC CN1C(=O)[C@H]2NCN[C@@H]2N(C)C1=O 209354388 UBNFVIOYSNCMBL-CRCLSJGQSA-N 184.199 -1.645 0 30 AAAC NC[C@@H]1CNCCN1 22028884 WNUMKDXJNNTPIU-RXMQYKEDSA-N 115.180 -1.494 0 30 AAAC CC1=CC(=O)N[C@@H](NN)N1 19168959 DJXHPRSNIXQISY-YFKPBYRVSA-N 142.162 -1.644 0 30 AAAC NC[C@@H]1CS(=O)(=O)CCO1 88613749 HRBKDHHEZAYQSZ-RXMQYKEDSA-N 165.214 -1.241 0 30 AAAC in-vitro C[C@@H]1NC(=S)N(N)C1=O 95924557 FRPVYUYBHWBPHE-REOHCLBHSA-N 145.187 -1.035 0 30 AAAC C[C@H]1NC(=O)CN(C)C1=O 39120638 DKJXHTTVLDGGFA-SCSAIBSYSA-N 142.158 -1.037 0 30 AAAC Nc1ncc(C[C@@H](N)C(=O)O)c(O)n1 306684522 IIYAGBPZKCYYSJ-SCSAIBSYSA-N 198.182 -1.281 0 30 AAAC NC(=O)C1CC(C(N)=O)C1 39064178 OJEPEHNTDPXZSY-UHFFFAOYSA-N 142.158 -1.017 0 30 AAAC O=CN[C@@H]1NCCN[C@H]1NC=O 39113834 IEXBMQJFGIRECA-WDSKDSINSA-N 172.188 -2.677 0 30 AAAC N[C@@H]1NCN[C@@H]2NCN[C@H]21 33791574 GXSFTOWUOAUHIE-LMVFSUKVSA-N 143.194 -2.734 0 30 AAAC N[C@]1(CO)CO[C@@H](CO)[C@H]1O 223554518 INPMHIFYFJYIKV-KVQBGUIXSA-N 163.173 -2.572 0 30 AAAC COC(=O)[C@H]1N[C@H]1C(=O)OC 13375261 KVPCJOIALQVHIX-ZXZARUISSA-N 159.141 -1.327 0 30 AAAC Nc1nc(=O)c(C[C@H](N)C(=O)O)c[nH]1 34076432 IIYAGBPZKCYYSJ-BYPYZUCNSA-N 198.182 -1.694 0 30 AAAC C[C@@H](CO)C(=O)NCC(=O)O 39058248 QJCFYDHPKKEQMT-BYPYZUCNSA-N 161.157 -1.184 0 30 AAAC OC[C@@]12O[C@H]1[C@@H](O)[C@@H]1O[C@@H]12 104524772 HUJKSEYWQUBJGQ-GKFJPSPNSA-N 144.126 -1.742 0 30 AAAC NCCNO 5410733 JVKAWJASTRPFQY-UHFFFAOYSA-N 76.099 -1.076 0 30 AAAC NC(=O)[C@H]1COC[C@H]1N 78881634 XDESMOSWSZWTAM-IUYQGCFVSA-N 130.147 -1.555 0 30 AAAC O=C1NC(=O)[C@H]2NCCC[C@H]2N1 206481997 FAXVSJWPXNLKIO-UHNVWZDZSA-N 169.184 -1.054 0 30 AAAC N[C@H]1C(=O)NO[C@H]1CC(=O)O 5411557 JFHNXMMEPVYAIC-ZAFYKAAXSA-N 160.129 -1.782 0 30 AAAC CO[C@@H]1[C@@H](O)[C@H](O)CO[C@H]1O 13540418 UAXFCDNRLADBDZ-JGWLITMVSA-N 164.157 -1.928 0 30 AAAC biogenic,in-vitro CCOC(=O)[C@@H]1C[C@H](N)[C@H](O)[C@@H]1O 39083412 BFNHIMATPXBNSW-UCROKIRRSA-N 189.211 -1.382 0 30 AAAC NC[C@@]1(CO)CCNC1 39094917 SOCIAWKDLHUOID-LURJTMIESA-N 130.191 -1.083 0 30 AAAC OC(O)C1O[C@H](O)[C@@H](O)O1 116667650 YQHKPULJSWMBDF-HRFVKAFMSA-N 152.102 -2.693 0 30 AAAC NC[C@@H](O)CNC(N)=O 238624778 JEJJWMKLWOIIGG-GSVOUGTGSA-N 133.151 -2.026 0 30 AAAC C[C@](O)(C(=O)O)[C@@H](O)C(=O)O 17487721 SUDDXMSROFLAQH-JLAZNSOCSA-N 164.113 -1.733 0 30 AAAC O=C(O)CCC(=O)OC[C@@H](O)CO 38647759 DQHHKFVACXSZHQ-YFKPBYRVSA-N 192.167 -1.252 0 30 AAAC O=C1NCC(=O)N2CC[C@H](O)C[C@H]12 39114486 QMNIDDVHWKXWSC-NTSWFWBYSA-N 184.195 -1.532 0 30 AAAC NC(=O)n1nnc2[nH]cnc2c1=O 39136858 RZNKGKNRSRYSHS-UHFFFAOYSA-N 180.127 -1.559 0 30 AAAC COc1ccc2c(n1)=NC(=O)CN=2 85343573 QDTUYTCXMUZHAG-UHFFFAOYSA-N 177.163 -1.130 0 30 AAAC N=CNCNCC[C@H](N)C(=O)O 604970755 UAXBPABZKMMBNO-YFKPBYRVSA-N 174.204 -1.468 0 30 AAAC Nn1cn[nH]c1=O 16887562 CPCBLTSIDBUNNE-UHFFFAOYSA-N 100.081 -1.715 0 30 AAAC in-vitro N[C@@H]1[C@@H](CO)O[C@@H](O)[C@@H]1O 39048333 CKTSPAXEVIBYFI-TXICZTDVSA-N 149.146 -2.616 0 30 AAAC NNC(=O)[C@@H]1NC[C@H]2C[C@H]21 39064056 VUIRTBXIXLNYNT-UOWFLXDJSA-N 141.174 -1.416 0 30 AAAC OC[C@H](O)C1CNC1 259177282 IBWPFVQNFBMXJB-YFKPBYRVSA-N 117.148 -1.441 0 30 AAAC NC(=O)CC1(N)COC1 82238086 QGVWIIQJCHMZSJ-UHFFFAOYSA-N 130.147 -1.411 0 30 AAAC O=C1NC2(CCC2)C(=O)N[C@H]1CO 39115049 VAQKHOGJROQZJX-YFKPBYRVSA-N 184.195 -1.484 0 30 AAAC O[C@@H]([C@H](O)[C@H]1CO1)[C@H]1CO1 4212910 AAFJXZWCNVJTMK-KVTDHHQDSA-N 146.142 -1.494 0 30 AAAC NC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O 14418703 FXVPOMKTIZKCTJ-PQMKYFCFSA-N 179.172 -3.255 0 30 AAAC O=C1O[C@H]2[C@@H](O[C@H](O)[C@@H]2O)[C@H]1O 104653394 OGLCQHRZUSEXNB-CHNQEGCASA-N 176.124 -2.649 0 30 AAAC OC[C@@H]1C[C@@H](CO)N1 104697617 RVXDNESKZYUPKO-WHFBIAKZSA-N 117.148 -1.299 0 30 AAAC N[C@@H]1C(=O)N[C@@H]1C(=O)O 84306578 NTCFPWFFFBNPOB-LWMBPPNESA-N 130.103 -2.103 0 30 AAAC C[C@H]1C(=O)NC(=O)N[C@@H]1O 6031804 IXLRNGYVHSNFAY-PWNYCUMCSA-N 144.130 -1.220 0 30 AAAC CNCCCS(N)(=O)=O 84175744 KMNZMWQLPPRBQH-UHFFFAOYSA-N 152.219 -1.116 0 30 AAAC CNC[C@H](O)CCO 82217763 XWTKYMIJXXGNHP-RXMQYKEDSA-N 119.164 -1.051 0 30 AAAC NNC[C@H](O)CN1CCOCC1 19170159 QYBPJTWZQPDNTH-ZETCQYMHSA-N 175.232 -1.857 0 30 AAAC COC[C@@H](N)C(N)=O 45507030 NAAMIKBWSCMFTC-GSVOUGTGSA-N 118.136 -1.555 0 30 AAAC in-vitro C[C@@](O)(CO)C[C@H](N)C(=O)O 13351287 ASHXMQKUZGLXMR-NJGYIYPDSA-N 163.173 -1.468 0 30 AAAC CC(=O)N[C@H]1C(=O)N=C(O)N[C@@H]1N 39129105 MJOZEDYKJKYABV-DMTCNVIQSA-N 186.171 -2.180 0 30 AAAC CC(C)[C@@H]1NC(=O)[C@@H](CO)NC1=O 39115182 NJFKZURMUGDZGV-RITPCOANSA-N 186.211 -1.382 0 30 AAAC biogenic O=C(N(CO)CO)N(CO)CO 1841016 AKTDWFLTNDPLCH-UHFFFAOYSA-N 180.160 -2.490 0 30 AAAC CC(=O)N[C@@H]1C(=O)N=C(O)N[C@H]1N 39129103 MJOZEDYKJKYABV-IUYQGCFVSA-N 186.171 -2.180 0 30 AAAC O=C(O)[C@@H]1NC[C@H]2CNC[C@H]21 117667530 WFPPVPZFBXSODQ-HSUXUTPPSA-N 156.185 -1.122 0 30 AAAC NCC[C@@H](F)C[C@H](N)C(N)=O 39136181 VLENTJMBSBOGOI-UHNVWZDZSA-N 163.196 -1.124 0 30 AAAC CC(=O)NC(N)=C([N+](=O)[O-])[N+](=O)[O-] 39126012 YDYYCCXCEKJCHZ-UHFFFAOYSA-N 190.115 -1.239 0 30 AAAC NC(=O)c1cnn(CCO)c1 306963371 LHYHSUSQLBMWFV-UHFFFAOYSA-N 155.157 -1.026 0 30 AAAC N[C@H]1C(=O)NC[C@@H]1C(=O)O 104638057 QLAGNSQDEXBBGO-STHAYSLISA-N 144.130 -1.856 0 30 AAAC N[C@H](C(=O)O)[C@H]1NC(=O)C1=O 117798032 URSDAALZRFSDMA-NHYDCYSISA-N 158.113 -2.534 0 30 AAAC C[C@H](N)CCNC(=O)C(=O)O 307636642 UTHXZCDFNLVSHN-BYPYZUCNSA-N 160.173 -1.076 0 30 AAAC CCCNC(=O)[C@H](N)C(N)=O 39135417 BKKXLOPYUGTAHW-SCSAIBSYSA-N 159.189 -1.675 0 30 AAAC CNS(=O)(=O)[C@H](C)CN 82631873 WFSBLMWAELHOJV-SCSAIBSYSA-N 152.219 -1.117 0 30 AAAC CC1=CC(=O)N[C@H](NN)N1 19168956 DJXHPRSNIXQISY-RXMQYKEDSA-N 142.162 -1.644 0 30 AAAC CN(C)C(=O)[C@H]1C[C@@H](O)CN1 20434466 ZOHZTBXVKULCNB-PHDIDXHHSA-N 158.201 -1.203 0 30 AAAC O=C(O)CNCCOCCO 39058345 FHARCGHXAWMGKP-UHFFFAOYSA-N 163.173 -1.331 0 30 AAAC O=C(O)COCCN1CCNCC1 39115304 TWFOPCLHVOVQAV-UHFFFAOYSA-N 188.227 -1.007 0 30 AAAC NC[C@H](N)CCO 34283508 WIYMETYMVDXKRR-SCSAIBSYSA-N 104.153 -1.345 0 30 AAAC in-vitro N[C@H]1CCS(=O)(=O)[C@H](C(=O)O)C1 257888547 WPZVIQKTBVRXTE-WHFBIAKZSA-N 193.224 -1.025 0 30 AAAC CN(C)C(=O)C[C@H](N)C(=O)O 8203399 AHEBZPSPUGRPFZ-BYPYZUCNSA-N 160.173 -1.123 0 30 AAAC in-vitro O=c1[nH]c(=O)c2c(ncn2O)[nH]1 5117741 RHZHJSCNWUGABX-UHFFFAOYSA-N 168.112 -1.350 0 30 AAAC N=C(N)NC(=N)NCCCN 113288948 XKFDVLUHBRJZQF-UHFFFAOYSA-N 158.209 -1.657 0 30 AAAC OC[C@@H]1CNC[C@@H](O)[C@H]1F 38864631 AMRGLJFRLTZTMG-JKUQZMGJSA-N 149.165 -1.103 0 30 AAAC COC[C@H](O)CON 145109169 PJOCRKSXKKGYCO-BYPYZUCNSA-N 121.136 -1.116 0 30 AAAC O[C@H]1O[C@H]2CO[C@@H]([C@H]1O)[C@@H]2O 36475235 DCQFFOLNJVGHLW-BSQWINAVSA-N 162.141 -2.176 0 30 AAAC NC1=NC(=O)C2=N[C@@H](O)CNC2=N1 39114293 IMJHAYLWSHODBV-REOHCLBHSA-N 181.155 -2.398 0 30 AAAC OCCOCCN(CCO)CCO 5178803 JIQBWPFLOVGXMI-UHFFFAOYSA-N 193.243 -1.718 0 30 AAAC in-vitro C[C@@H]1NC(=O)C[C@@H](C(=O)O)N1 39058062 FJXPASICOZWLOK-IMJSIDKUSA-N 158.157 -1.105 0 30 AAAC Nc1nc(=O)[nH]cc1N1CCNCC1 95884080 HOMDNCTTYQYCEJ-UHFFFAOYSA-N 195.226 -1.238 0 30 AAAC NCCC[C@H](NCO)C(=O)O 39058281 OVTOIBSHJOZANW-YFKPBYRVSA-N 162.189 -1.282 0 30 AAAC C[C@@H](O)[C@@H]1NC(=O)CNC1=O 14451348 QPENGVPAWUAJDV-WUJLRWPWSA-N 158.157 -2.018 0 30 AAAC O[C@]1(c2c[nH]nn2)CCNC1 238850664 CKNNGYLPGIOZGG-ZCFIWIBFSA-N 154.173 -1.014 0 30 AAAC COC(=O)C[C@@H]1NC(=O)CNC1=O 39115200 FNJRVMKCXNKPKH-BYPYZUCNSA-N 186.167 -1.836 0 30 AAAC CN(CCN)CC(=O)O 54419294 IUJAXCQYNMCGOD-UHFFFAOYSA-N 132.163 -1.039 0 30 AAAC in-vitro CN[C@@H](CC(N)=O)C(=O)OC 39058155 QQJXZTIWNZMSPG-BYPYZUCNSA-N 160.173 -1.377 0 30 AAAC CC(=O)NCCNC(=O)C(=O)O 36746658 ARUXYPUZVUAWLM-UHFFFAOYSA-N 174.156 -1.677 0 30 AAAC in-vitro CO[C@@H]1NC(=O)[C@H](OC)NC1=O 39113935 ILLBJQKCRGNJDY-WDSKDSINSA-N 174.156 -1.823 0 30 AAAC CC(=O)N[C@H]1NC(=O)NC1=O 39132769 CSGWGMMFAMMBSX-VKHMYHEASA-N 157.129 -1.712 0 30 AAAC NC[C@@H]1C[C@H](F)CN1CC(N)=O 231823371 YVRADWNCBLERBU-WDSKDSINSA-N 175.207 -1.157 0 30 AAAC NS(=O)(=O)C[C@@H]1CNCCO1 238599965 PWAYXKWGDMEGHU-YFKPBYRVSA-N 180.229 -1.737 0 30 AAAC CN1CC2(CNC2)OCC1=O 409432965 QTSSMXHVDRYGTO-UHFFFAOYSA-N 156.185 -1.183 0 30 AAAC CNC(=O)CNC(=O)CCN(C)C 379411477 IFVSAOLYQOFFHS-UHFFFAOYSA-N 187.243 -1.200 0 30 AAAC CC(C)[C@@H](NS(N)(=O)=O)C(=O)O 19506756 IIRKLFOBJZBWGF-SCSAIBSYSA-N 196.228 -1.111 0 30 AAAC COC(=O)C(=O)Nn1ccnn1 39058842 LZHAEBTYLUVJRV-UHFFFAOYSA-N 170.128 -1.479 0 30 AAAC CS(=O)(=O)NC(CO)CO 83693400 VVAJAQDNGVTSIW-UHFFFAOYSA-N 169.202 -2.111 0 30 AAAC NC(=O)[C@H](N)[C@@H]1CCCO1 98210148 ALVGELMENIUCSV-CRCLSJGQSA-N 144.174 -1.022 0 30 AAAC in-vitro CC(CN)(CO)CO 83598450 ORDSYPMMTHBAOG-UHFFFAOYSA-N 119.164 -1.064 0 30 AAAC in-vitro O=S(=O)(O)OCCO 113177249 GAPYETXMWCTXDQ-UHFFFAOYSA-N 142.132 -1.202 0 30 AAAC CN1CCN[C@@H](CO)C1=O 211747712 YXNUSEWANCQVMM-YFKPBYRVSA-N 144.174 -1.591 0 30 AAAC NN1CCN(N)CC1 19167339 PVCOXMQIAVGPJN-UHFFFAOYSA-N 116.168 -1.649 0 30 AAAC COC(=O)[C@H]1CC(=O)N(C2CNC2)C1 215539748 YJLDVCLFARYUGI-LURJTMIESA-N 198.222 -1.020 0 30 AAAC CC(=O)N[C@H]1COC[C@@H]1O 104708615 OWIQIUKFPXWKFP-WDSKDSINSA-N 145.158 -1.118 0 30 AAAC CNC(=O)N1CC(N)C1 125319057 OKWCNWNXSOLSSA-UHFFFAOYSA-N 129.163 -1.031 0 30 AAAC OCCN[C@H]1CNC[C@@H]1O 39058937 MLPMDQRKVXXUIX-WDSKDSINSA-N 146.190 -2.099 0 30 AAAC NOCC(=O)N1CCNC(=O)C1 39113881 TXTRREDPUYFGDL-UHFFFAOYSA-N 173.172 -2.165 0 30 AAAC OCCOCC[C@H]1CNCCN1 39113914 CDNGOUUFZNXQSM-QMMMGPOBSA-N 174.244 -1.053 0 30 AAAC C[C@@H]1CN[C@H](CO)CN1 62566229 ZAJCWYDHBKNPSQ-RITPCOANSA-N 130.191 -1.071 0 30 AAAC C[C@H](N)C(=O)OC(=O)[C@@H](N)CCl 213645574 SPWGZOUGGTZYCS-IMJSIDKUSA-N 194.618 -1.031 0 30 AAAC CS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O 6019793 BLOFGONIVNXZME-YDMGZANHSA-N 179.241 -1.858 0 30 AAAC in-vitro N=C(N)NCCN1CCNCC1 39113691 XHIGUBZMTKFOQP-UHFFFAOYSA-N 171.248 -1.625 0 30 AAAC CC(=O)[C@H](O)OS(=O)(=O)O 96332029 KYXDFKSRGBAAIK-GSVOUGTGSA-N 170.142 -1.287 0 30 AAAC O=C(O)[C@@H](F)[C@H](O)C(=O)O 13545827 FJOQIMHGSNFURE-LWMBPPNESA-N 152.077 -1.145 0 30 AAAC O=C(O)[C@H]1C[C@H]1C(=O)NCCO 37792725 KKOGLCIWHDIDTA-UHNVWZDZSA-N 173.168 -1.184 0 30 AAAC N[C@@H]1CON(CC(=O)O)C1=O 3641241 BLNMVEHKBXUWAG-GSVOUGTGSA-N 160.129 -1.828 0 30 AAAC NCCNCCN1CCNC1 19327048 BEIDPQDXXXUJEZ-UHFFFAOYSA-N 158.249 -1.603 0 30 AAAC COCC[C@H](N)C(N)=O 52791060 FZVBWAUFIBRUSG-BYPYZUCNSA-N 132.163 -1.165 0 30 AAAC in-vitro NC1CN(CC(=O)NC2CC2)C1 82595569 XABVDAYKUJOTAN-UHFFFAOYSA-N 169.228 -1.092 0 30 AAAC C[S@@](=O)C[C@H](O)CN 150027820 CRSZGRDBSPUNJM-VHWMUFPASA-N 137.204 -1.316 0 30 AAAC O=C1C[C@@H](O)[C@H](CO)O[C@@H]1O 38600290 UHPMJDGOAZMIID-PYWDMBMJSA-N 162.141 -1.984 0 30 AAAC C1CN(C[C@@H]2CNCCO2)CCN1 39115089 KIIHPWXATLEYCC-VIFPVBQESA-N 185.271 -1.120 0 30 AAAC NC(=O)Cc1c[nH]c(=O)[nH]c1=O 149874977 IJAHNLRUFAXOBY-UHFFFAOYSA-N 169.140 -1.909 0 30 AAAC CCOC(=O)[C@@H]1C[C@H](N)[C@H](O)[C@H]1O 255003819 BFNHIMATPXBNSW-BWBBJGPYSA-N 189.211 -1.382 0 30 AAAC CCOC(=O)[C@@H]1NC=N[C@@H]1N 39057992 AXKWOLWGODVHLU-UHNVWZDZSA-N 157.173 -1.166 0 30 AAAC OC[C@H](O)CNC[C@@H](O)CO 38613907 SAMGBMSEBPZABZ-PHDIDXHHSA-N 165.189 -2.718 0 30 AAAC C[S@](=O)C[C@@H](O)CN 150028444 CRSZGRDBSPUNJM-RNHFCUEFSA-N 137.204 -1.316 0 30 AAAC CC[C@@H]1NC(=O)C(=O)NC1=O 223723628 WQAMXCDIEHUZDD-VKHMYHEASA-N 156.141 -1.462 0 30 AAAC O=C(O)C(=O)n1ccc[n+]1[O-] 39057869 NIKPIAHKEPYIAS-UHFFFAOYSA-N 156.097 -1.154 0 30 AAAC OC[C@@H]1CNC[C@@H](O)[C@@H]1F 38864637 AMRGLJFRLTZTMG-KVQBGUIXSA-N 149.165 -1.103 0 30 AAAC N[C@H]1C[C@H](CO)NC1=O 215039029 WYZFWCBQXQXNDS-DMTCNVIQSA-N 130.147 -1.806 0 30 AAAC C[C@@H]1O[C@H](O)C[C@H](N)[C@@H]1O 6920575 BBMKQGIZNKEDOX-OMMKOOBNSA-N 147.174 -1.198 0 30 AAAC in-vitro C[C@H]1NC(=O)CN(CC(N)=O)C1=O 90586213 BQJGXHINDPNZJT-SCSAIBSYSA-N 185.183 -2.181 0 30 AAAC NCCOB(O)OCCN 195767647 UKSJHEHERZWQRA-UHFFFAOYSA-N 147.971 -2.086 0 30 AAAC CC(=O)NC(=O)C(=O)NC(C)=O 2024023 YKLXUKBPDJLLMU-UHFFFAOYSA-N 172.140 -1.688 0 30 AAAC O=C1NCN[C@H]2NCN[C@@H]12 207959194 XLZVGCGLPLUGGX-QWWZWVQMSA-N 142.162 -2.492 0 30 AAAC N[C@@H]1C[C@@H](O)[C@@H](O)C[C@@H]1C(=O)O 238656411 GTBPANMHPBGVAV-BGPJRJDNSA-N 175.184 -1.470 0 30 AAAC OC(O)[C@H]1O[C@H](O)[C@H](O)O1 256014005 YQHKPULJSWMBDF-YFUJLLDVSA-N 152.102 -2.693 0 30 AAAC NC(=O)[C@@H](F)[C@H](N)C(=O)O 1568479 WCDMRIWUCBOWJP-LWMBPPNESA-N 150.109 -1.778 0 30 AAAC COC(CN)CN 66033380 JMORBWICMBFECY-UHFFFAOYSA-N 104.153 -1.081 0 30 AAAC in-vitro Cn1cnnc1C[C@@H](N)C(=O)O 82401121 LSLYBCLVVPKLPM-SCSAIBSYSA-N 170.172 -1.231 0 30 AAAC C[C@@]1(CO)COCC(=O)N1 145644824 AWXNCAIZBNJZLN-ZCFIWIBFSA-N 145.158 -1.116 0 30 AAAC Cn1ccc(N)n/c1=N\CCO 39082586 WYRWMVUGOIXCAN-UHFFFAOYSA-N 168.200 -1.105 0 30 AAAC CONC(=O)CN 78724470 AUWGCKQDHVHZJG-UHFFFAOYSA-N 104.109 -1.377 0 30 AAAC N[C@H]1COC[C@H]1CO 104585788 UEOVIIQBMQIOGG-UHNVWZDZSA-N 117.148 -1.048 0 30 AAAC NC1[C@H](O)C[C@H]1O 144381452 XRSPSLMIYRTMHA-PWNYCUMCSA-N 103.121 -1.561 0 30 AAAC CC(=O)[C@H](NC=O)C(N)=O 39069326 OJYVJEFROCGLHP-BYPYZUCNSA-N 144.130 -1.825 0 30 AAAC OCCNCCN1CCNCC1 39113872 KOCRVTCEUXRPPI-UHFFFAOYSA-N 173.260 -1.527 0 30 AAAC Cn1c(=O)c2nc[nH]c2c(=O)n1C 45821173 MXVBLGMQEKMVJQ-UHFFFAOYSA-N 180.167 -1.040 0 30 AAAC OC[C@H]1OC[C@@H](O)[C@@H]1O 13526473 KZVAAIRBJJYZOW-WDCZJNDASA-N 134.131 -1.901 0 30 AAAC in-vitro CC(=O)[C@@H]1C(=O)CNC1=O 18085279 KBEZSONORPLPSB-RXMQYKEDSA-N 141.126 -1.110 0 30 AAAC in-vitro COC(=O)CCNC(=O)CN 40419388 VWHJPUHYESFWEO-UHFFFAOYSA-N 160.173 -1.376 0 30 AAAC Cn1[nH]cc(C(N)=O)c1=N 100222393 XELSFNOPKVBWIN-UHFFFAOYSA-N 140.146 -1.068 0 30 AAAC NCC[C@H](NC(=O)C(=O)O)C(=O)O 13356036 FSWAVNWMSDFCLP-VKHMYHEASA-N 190.155 -2.011 0 30 AAAC CC(=O)N[C@H]1C(=O)N=C(O)N[C@H]1N 39129101 MJOZEDYKJKYABV-QWWZWVQMSA-N 186.171 -2.180 0 30 AAAC NC(=O)[C@H]1NC(=O)C(=O)NC1=O 100050230 VFTXVLPVYYVSBU-PVQJCKRUSA-N 171.112 -3.387 0 30 AAAC C[C@@H]1[C@H](C(=O)O)[C@@H](O)C(=O)N1C 669371564 HCYHZGDPSAJBAK-MROZADKFSA-N 173.168 -1.091 0 30 AAAC O=C1N[C@@](O)(CO)[C@@H](O)[C@H](O)[C@@H]1O 59859931 WBUDAFXUTYJZKP-SHPLCBCASA-N 193.155 -4.120 0 30 AAAC N[C@@H]1CCC[C@@H]2C(=O)NNC(=O)[C@H]21 575447516 CKIYNDXCWOQCIL-KVQBGUIXSA-N 183.211 -1.109 0 30 AAAC OCC[C@H]1CN(CCO)CCN1 39113915 LWOIPPVWVLSHQJ-QMMMGPOBSA-N 174.244 -1.365 0 30 AAAC COC(=O)CN1CC(=O)NC(=O)C1 34867970 QTYGFOJNHZRERQ-UHFFFAOYSA-N 186.167 -1.882 0 30 AAAC NC1=NC(=O)[C@@]2(O)NCCN=C2N1 39114410 LUGYMNYIZKAZAP-ZCFIWIBFSA-N 183.171 -2.879 0 30 AAAC C[C@]1(CO)COCC(=O)N1 145645009 AWXNCAIZBNJZLN-LURJTMIESA-N 145.158 -1.116 0 30 AAAC OC[C@@H](O)[C@H]1CCN1 117293446 QKIBMIPUOOPQHB-RFZPGFLSSA-N 117.148 -1.299 0 30 AAAC CO[C@@H]1COC[C@@H]1S(N)(=O)=O 307649807 QCMQAYGICSHMJG-UHNVWZDZSA-N 181.213 -1.311 0 30 AAAC C1=N[C@@H]2NC=N[C@H]2C(n2cncn2)=N1 104400762 CABGMOONTUWKFY-RITPCOANSA-N 189.182 -1.107 0 30 AAAC NC(=O)N(O)C(N)=O 5112649 FXDMZWYIKZFMJH-UHFFFAOYSA-N 119.080 -1.165 0 30 AAAC C[C@](O)(CO)C[C@H](N)C(=O)O 13351283 ASHXMQKUZGLXMR-UJURSFKZSA-N 163.173 -1.468 0 30 AAAC COC(=O)CS(=O)(=O)CC(=O)O 36336581 KHGVWLXLOVXUQP-UHFFFAOYSA-N 196.180 -1.341 0 30 AAAC in-vitro CNCc1nnn(C)n1 83255621 YABHCUGEYSRJJE-UHFFFAOYSA-N 127.151 -1.071 0 30 AAAC OC[C@@H]1O[C@@H](O)[C@@H](F)[C@@H](O)[C@@H]1O 4544634 ZCXUVYAZINUVJD-HGVZOGFYSA-N 182.147 -2.244 0 30 AAAC in-vitro NC(=O)[C@@H](N)[C@H]1CCCO1 98210145 ALVGELMENIUCSV-UHNVWZDZSA-N 144.174 -1.022 0 30 AAAC in-vitro CO[C@]12C[C@H](CN)O[C@@H]1NC(=O)N2 223508693 ZQUVIMMCBFDKQI-JCGDXUMPSA-N 187.199 -1.284 0 30 AAAC NC(=O)[C@H]1C[C@H](O)CN1N=O 238564627 ONWBZNUSIZRZMT-IUYQGCFVSA-N 159.145 -1.412 0 30 AAAC CO[C@@H]1[C@H](O)N(CO)C(=O)N1CO 5701311 DDTMTHCUKRELBA-CRCLSJGQSA-N 192.171 -2.086 0 30 AAAC CC(O)(C(=O)O)C(=O)O 2510346 LNRVTEQEGXVMEF-UHFFFAOYSA-N 134.087 -1.093 0 30 AAAC biogenic,in-vitro Nn1ccc(=O)[nH]c1=O 14825799 IILMINFWXULDNN-UHFFFAOYSA-N 127.103 -1.750 0 30 AAAC in-vitro Cn1c(CCN)noc1=O 83267833 SXNPHTLGOWLKIJ-UHFFFAOYSA-N 143.146 -1.126 0 30 AAAC COC[C@@H](ON)C(=O)O 232391585 FADTZCJSZDBCPF-GSVOUGTGSA-N 135.119 -1.024 0 30 AAAC N[C@H](CCNC(=O)C(=O)O)C(=O)O 13356032 DSBZQNMJXKJWTO-GSVOUGTGSA-N 190.155 -2.011 0 30 AAAC NOC[C@@H](O)CO 20230890 LHTDOTAGCRFCTB-VKHMYHEASA-N 107.109 -1.770 0 30 AAAC in-vitro CCS(=O)(=O)CCNN 37935193 OKYDESGOYKXLBI-UHFFFAOYSA-N 152.219 -1.116 0 30 AAAC in-vitro NC1CC(O)(CO)C1 116188339 VIPCYZVURGQBRM-UHFFFAOYSA-N 117.148 -1.169 0 30 AAAC N=C(NN)C(N)=O 142803587 PCZOXENICTWAFR-UHFFFAOYSA-N 102.097 -2.088 0 30 AAAC N[C@@H]1[C@@H](CO)OC(=O)[C@H]1O 95922082 PGOZEWOVQWMQNP-JJYYJPOSSA-N 147.130 -2.408 0 30 AAAC C[C@@H]1CN[C@@H]2NC(N)=NC(=O)[C@H]2N1 255974858 GRGWASDEOIBWJS-MROZADKFSA-N 183.215 -2.293 0 30 AAAC O=C1O[C@@H]2[C@H](O)[C@H](O)O[C@@H]2[C@H]1O 13551916 OGLCQHRZUSEXNB-HSTXELELSA-N 176.124 -2.649 0 30 AAAC biogenic NC(=O)C[C@@]1(O)CCCNC1 215369714 SWDRNQMYXZGQHI-ZETCQYMHSA-N 158.201 -1.024 0 30 AAAC O=C(O)CN(CC(=O)O)[N+](=O)[O-] 4336514 VGRPIZSXGHDRLP-UHFFFAOYSA-N 178.100 -1.351 0 30 AAAC Nc1nc(=O)[nH]cc1CCO 1607203 NOYYUQCJSFZZIM-UHFFFAOYSA-N 155.157 -1.113 0 30 AAAC NC(C(=O)O)(C(=O)O)C(=O)O 39136158 NATWVKLDGZLUAI-UHFFFAOYSA-N 163.085 -2.062 0 30 AAAC CC(=O)N[C@H]1C(=O)N=C(C)NC1=O 100296224 LGDYNZPRCYHWJT-UHFFFAOYSA-N 183.167 -1.434 0 30 AAAC NC[C@H](C(=O)O)[C@H](N)C(=O)O 39136156 IZZAFIGUWUSOST-HRFVKAFMSA-N 162.145 -1.942 0 30 AAAC N[C@H]1CC[C@H](O)NC1=O 95922325 MNZZKKFBIKYMGP-IMJSIDKUSA-N 130.147 -1.458 0 30 AAAC CS(=O)(=O)NC[C@@H]1CNCCO1 36284192 ADNPJMCQRXUJKI-LURJTMIESA-N 194.256 -1.476 0 30 AAAC N=C(N)NCCCC(N)=O 1529587 YHVFECVVGNXFKO-UHFFFAOYSA-N 144.178 -1.265 0 30 AAAC in-man,metabolite C[C@@H](N)CCNC(=O)C(=O)O 307636643 UTHXZCDFNLVSHN-SCSAIBSYSA-N 160.173 -1.076 0 30 AAAC CCN1CCN(CCN)C(=O)C1=O 39115127 HNVWCAIKBBEBPR-UHFFFAOYSA-N 185.227 -1.364 0 30 AAAC CC(=O)[C@H](O)CO 100196307 SEYLPRWNVFCVRQ-SCSAIBSYSA-N 104.105 -1.071 0 30 AAAC in-vitro CC(=O)OCCN(CCO)CCO 5437899 COYBSBIBDYUILE-UHFFFAOYSA-N 191.227 -1.164 0 30 AAAC OC[C@@H](O)CN1CC[C@@H](O)C1 115967671 LVNHFJFINQPLPD-RQJHMYQMSA-N 161.201 -1.594 0 30 AAAC CO[C@@H]1NC(=O)N[C@H]1O 33637227 FIGXZOBRWFEACW-HRFVKAFMSA-N 132.119 -1.410 0 30 AAAC N[C@H]1CCC2(C1)C(=O)NC(=O)NC2=O 39112605 UUKXDTRXHNPFEM-BYPYZUCNSA-N 197.194 -1.150 0 30 AAAC O=C1C=C2C(=O)NCCN2CCN1 39114280 VVLWFXMJFJMBEE-UHFFFAOYSA-N 181.195 -1.568 0 30 AAAC N[C@H]1C[C@@H](C(=O)O)N(CC(=O)O)C1 39083336 DQKMXMVIFJPIEE-WHFBIAKZSA-N 188.183 -1.443 0 30 AAAC C[C@@H](O)[C@@H](O)CN 115305187 BSLCSFCXSUCFQN-DMTCNVIQSA-N 105.137 -1.313 0 30 AAAC in-vitro O=C(CCO)N1CCNCC1 53299511 HGSDPPKIASRECG-UHFFFAOYSA-N 158.201 -1.199 0 30 AAAC Cn1cnnc1C[C@H](N)C(=O)O 82401120 LSLYBCLVVPKLPM-BYPYZUCNSA-N 170.172 -1.231 0 30 AAAC CC(=O)N[C@H]1CN[C@@H](CO)[C@@H]1O 95589317 CIBNSHFFZNRICG-LYFYHCNISA-N 174.200 -2.184 0 30 AAAC in-vitro C[C@@H]1O[C@H](O)C[C@@H](N)[C@@H]1O 14420580 BBMKQGIZNKEDOX-BGPJRJDNSA-N 147.174 -1.198 0 30 AAAC in-vitro NCCNCCCN1CCNCC1 38292910 NACQTMJBDMQQFN-UHFFFAOYSA-N 186.303 -1.170 0 30 AAAC C[C@H](O)[C@H](O)CN 115305191 BSLCSFCXSUCFQN-IUYQGCFVSA-N 105.137 -1.313 0 30 AAAC in-vitro COC(CS(N)(=O)=O)OC 141736821 FFZDVHQMCBEJGF-UHFFFAOYSA-N 169.202 -1.106 0 30 AAAC O=C1NCN[C@H]2NCN[C@H]12 207959235 XLZVGCGLPLUGGX-IUYQGCFVSA-N 142.162 -2.492 0 30 AAAC O=P(O)(O)C(O)P(=O)(O)O 24740492 HJZKOAYDRQLPME-UHFFFAOYSA-N 192.000 -1.382 0 30 AAAC world NC1=NC2=NNNC2=C(Cl)N1 35564974 JRWDHBRVKDNPSN-UHFFFAOYSA-N 172.579 -1.267 0 30 AAAC CNC(=O)[C@@H]1C[C@@H](O)CN1C 39065254 DDGIXKHWOFWOJX-RITPCOANSA-N 158.201 -1.203 0 30 AAAC N[C@H]1[C@H](O)C[C@H](O)[C@H]1CO 95923270 WZPJJSDNELKJAW-JGWLITMVSA-N 147.174 -1.952 0 30 AAAC C[C@H]1CNC[C@H](C(N)=O)O1 238475989 OCCUOFVJVBKROR-CRCLSJGQSA-N 144.174 -1.151 0 30 AAAC O[C@@H]1COC[C@H]1N1CCNCC1 306153078 IGCYCVMOKYCNSX-HTQZYQBOSA-N 172.228 -1.349 0 30 AAAC COC(=O)[C@@H]1C[C@@H](O)C(=O)O1 39087188 UNSIDMOABLNHFX-DMTCNVIQSA-N 160.125 -1.164 0 30 AAAC CO[C@@H]1NC(=O)[C@@H](OC)NC1=O 39113934 ILLBJQKCRGNJDY-OLQVQODUSA-N 174.156 -1.823 0 30 AAAC CN1CCN(CC[C@H](O)CO)CC1 39115320 NFOPFURNJJEVPZ-VIFPVBQESA-N 188.271 -1.023 0 30 AAAC O=C1NNC(=O)[C@@H]2NC=N[C@H]12 98178889 BODGSKRVXSPADQ-WSOKHJQSSA-N 154.129 -2.484 0 30 AAAC OC[C@H](O)[C@H]1CCN1 117293448 QKIBMIPUOOPQHB-UHNVWZDZSA-N 117.148 -1.299 0 30 AAAC NC(CO)(CO)C(=O)O 1529583 ZRPDXDBGEYHEBJ-UHFFFAOYSA-N 135.119 -2.247 0 30 AAAC biogenic,in-vitro O[C@H]1CNC[C@@H]1n1ccnn1 39059508 HWXNIOPASTVKAY-WDSKDSINSA-N 154.173 -1.217 0 30 AAAC CC(=O)OC[C@H]1OC(=O)[C@H](O)[C@@H]1O 104401044 WARRVDGJNZAMDR-HSUXUTPPSA-N 190.151 -1.803 0 30 AAAC NCCN1CCNCC1=O 34628354 XGOCJPJYSFOEOJ-UHFFFAOYSA-N 143.190 -1.623 0 30 AAAC CNC(=O)CC1=NCNC1=O 137975778 IOTIUWIEUCSJLU-UHFFFAOYSA-N 155.157 -1.349 0 30 AAAC CNS(=O)(=O)C[C@H]1CNCCO1 238310404 DRWMVYSSBGMOSK-ZCFIWIBFSA-N 194.256 -1.476 0 30 AAAC COC(=O)[C@@H](N)C(=O)O 95933679 DJJDVURDQUREHS-REOHCLBHSA-N 133.103 -1.429 0 30 AAAC N[C@H](C(=O)O)[C@H](O)CF 5131963 GTFWIYJIEXNAOL-GBXIJSLDSA-N 137.110 -1.271 0 30 AAAC in-vitro O=C1N[C@@H](O)[C@H](O)N1CO 5178900 SYPNXFTUXUIACQ-HRFVKAFMSA-N 148.118 -2.402 0 30 AAAC CN(N)S(C)(=O)=O 196635560 ABTFCSFEAMEIGN-UHFFFAOYSA-N 124.165 -1.249 0 30 AAAC OCC1(CO)CCNC1 104695062 JTZUKPJSXQMWEX-UHFFFAOYSA-N 131.175 -1.049 0 30 AAAC in-vitro C1=c2ncncc2=NCO1 39053230 KYMSWNIZHRAPAL-UHFFFAOYSA-N 135.126 -1.178 0 30 AAAC C[C@H](NC[C@@H](O)CN)C(=O)O 39058307 MEMLAZUOYHYCPF-WHFBIAKZSA-N 162.189 -1.631 0 30 AAAC NC1=NC(=O)[C@]2(O)NCCN=C2N1 39114409 LUGYMNYIZKAZAP-LURJTMIESA-N 183.171 -2.879 0 30 AAAC Nc1nc(=O)c2c([nH]1)N[C@@H](O)C=N2 100282856 GQTYCMKNNXPNIB-REOHCLBHSA-N 181.155 -1.202 0 30 AAAC CN(C)C(=O)[C@@H]1C[C@@H](O)CN1 20434465 ZOHZTBXVKULCNB-RITPCOANSA-N 158.201 -1.203 0 30 AAAC CC1(C)NC(=O)C(=O)N1 33506252 JUUCOMWMUXIJNP-UHFFFAOYSA-N 128.131 -1.032 0 30 AAAC COC[C@H]1NC(=O)CNC1=O 39060116 ZBDFOWZFNMXAEL-SCSAIBSYSA-N 158.157 -1.753 0 30 AAAC CN(C)C(=O)C[C@H]1NCCNC1=O 90662066 APMIWQXXTKRASM-ZCFIWIBFSA-N 185.227 -1.447 0 30 AAAC OC[C@@H](O)CN1CC[C@H](O)C1 133719384 LVNHFJFINQPLPD-BQBZGAKWSA-N 161.201 -1.594 0 30 AAAC O=C1NC(=O)[C@@H](C2CNC2)N1 82843999 BWCAXLWLVICMQY-SCSAIBSYSA-N 155.157 -1.586 0 30 AAAC O=c1ccc(O)nn1CCO 4353786 LQGNTFKZYOFBHK-UHFFFAOYSA-N 156.141 -1.059 0 30 AAAC NCCN1C[C@@H](O)[C@H](O)C1 95752922 QGYKHFXTWWKKHL-PHDIDXHHSA-N 146.190 -2.018 0 30 AAAC CN1C(=O)C(=O)N[C@@H]2N=CN=C[C@@H]21 96336358 LJZUNCZQSQESRP-WHFBIAKZSA-N 180.167 -1.618 0 30 AAAC NCCOC=C[C@@H](N)C(=O)O 2265324111 USGUVNUTPWXWBA-RXMQYKEDSA-N 160.173 -1.113 0 30 AAAC NC(=O)c1cn(C2CNC2)nn1 86194610 HCNNYDVZJSVPSE-UHFFFAOYSA-N 167.172 -1.479 0 30 AAAC in-vitro C[C@@H](O)CNCCN1CCNCC1 19372329 IFJMAOCMMIEGBE-SECBINFHSA-N 187.287 -1.138 0 30 AAAC C[C@@H]1C(=O)NC(=O)N[C@H]1O 6066870 IXLRNGYVHSNFAY-HRFVKAFMSA-N 144.130 -1.220 0 30 AAAC O=C(O)NC(=O)NC(=O)C(=O)O 39139016 MYULUWGTLNUBKF-UHFFFAOYSA-N 176.084 -1.425 0 30 AAAC CN[C@H](COC)C(N)=O 45507038 UPPHKLRGHMXIIY-SCSAIBSYSA-N 132.163 -1.294 0 30 AAAC in-vitro CN1CC(N)=NCC1=O 95924359 BPFBPFRIVNHIHS-UHFFFAOYSA-N 127.147 -1.184 0 30 AAAC OCCOCC(O)COCCO 33605162 ODMOFUHYUDOOFU-UHFFFAOYSA-N 180.200 -1.635 0 30 AAAC C[C@H](C(=O)O)S(N)(=O)=O 42521209 QFRAXSIOVXHFED-UWTATZPHSA-N 153.159 -1.252 0 30 AAAC O=C1N(CO)[C@H](O)[C@@H](O)N1CO 2039196 ZEYUSQVGRCPBPG-QWWZWVQMSA-N 178.144 -2.740 0 30 AAAC CO[C@@H]1NC(=O)CN(C)C1=O 39113632 AUDVQKXMGBKHRC-YFKPBYRVSA-N 158.157 -1.453 0 30 AAAC O=c1cnc2nc(=O)[nH]c(O)c2[nH]1 1510519 ICUZHLHSYKJAGS-UHFFFAOYSA-N 180.123 -1.288 0 30 AAAC O=C(O)[C@H]1NC(=O)[C@@H]1CCO 39066855 GTNADIRLJUOZRZ-DMTCNVIQSA-N 159.141 -1.432 0 30 AAAC COC(=O)[C@]1(C)NCCNC1=O 39113852 LXMJTDUOUFIJOA-SSDOTTSWSA-N 172.184 -1.363 0 30 AAAC Cn1[nH]cc2c(=O)n(C)c(=O)nc1-2 100493612 BJYYKIQTSUKWOV-UHFFFAOYSA-N 180.167 -1.088 0 30 AAAC COC(=O)C[C@@H](O)CO 12243722 KCKWOJWPEXHLOQ-SCSAIBSYSA-N 134.131 -1.097 0 30 AAAC N[C@@](CO)(CC(=O)O)C(=O)O 18682834 YGLOQRWELYMJBX-RXMQYKEDSA-N 163.129 -1.765 0 30 AAAC NC(=O)C1=C[C@H](O)[C@H]2O[C@H]2C1 34333815 GDMPOHDUHUFGBW-HCWXCVPCSA-N 155.153 -1.070 0 30 AAAC NNC1CC(O)C1 143480671 PDEGLUHDWLLYFW-UHFFFAOYSA-N 102.137 -1.027 0 30 AAAC N[C@@H](CO)P(=O)(O)O 5131958 RVUUAGQILBTWHJ-UWTATZPHSA-N 141.063 -1.559 0 30 AAAC CS(=O)(=O)CC[C@H](O)CN 82853078 RKZZILHVBBETEC-YFKPBYRVSA-N 167.230 -1.259 0 30 AAAC NN1CCOCC1=O 90130470 GBDKFJBSSMHJRO-UHFFFAOYSA-N 116.120 -1.281 0 30 AAAC CNCC(=O)N(C)CCC(=O)NC 226333438 LLRMRGZVISOPIE-UHFFFAOYSA-N 187.243 -1.200 0 30 AAAC Nc1ncc(S(=O)(=O)O)c(=O)[nH]1 238697028 ILYVFKSODIGPKQ-UHFFFAOYSA-N 191.168 -1.401 0 30 AAAC Cn1nc(NN)c(=O)n(C)c1=O 36867653 MLEVAFOVOOWHAK-UHFFFAOYSA-N 171.160 -2.235 0 30 AAAC in-vitro O=c1ccn2c(=O)[nH]c(=O)[nH]c2n1 238647219 KRKHYEGWNVQRIP-UHFFFAOYSA-N 180.123 -1.929 0 30 AAAC CNC(=O)[C@H](N)C(C)=O 95923425 MALQWCHJFRNCOD-SCSAIBSYSA-N 130.147 -1.351 0 30 AAAC O=C(O)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 140210805 UDQPBAKZZSWNSE-SQOUGZDYSA-N 178.140 -2.448 0 30 AAAC CNC(=O)[C@@H]1C[C@@H](O)CN1 20433810 GVJLLBKPPKVEAZ-UHNVWZDZSA-N 144.174 -1.545 0 30 AAAC C1NCC2(CNNC2)N1 39095241 HWXBYUZLIZRWSQ-UHFFFAOYSA-N 128.179 -2.017 0 30 AAAC NS(=O)(=O)[C@H]1CNCCOC1 616661595 VMRYZSGBNQOYTP-YFKPBYRVSA-N 180.229 -1.737 0 30 AAAC Cn1cnnc1[C@@H](N)CO 54497516 KFADKSJJPPUWKL-BYPYZUCNSA-N 142.162 -1.193 0 30 AAAC O=C(O)[C@H]1OCCO[C@H]1C(=O)O 17313528 XUZZZKIOMAMVTK-ZXZARUISSA-N 176.124 -1.060 0 30 AAAC O=C(C1CNC1)N1CC[C@H](O)C1 84411931 FEVSTRHVYUAYMR-ZETCQYMHSA-N 170.212 -1.201 0 30 AAAC CC1=C(C(N)=O)[C@](C)(N)CC(=O)N1 90660667 LHDXJPNRNDAPTK-MRVPVSSYSA-N 183.211 -1.017 0 30 AAAC NC(=O)C1=C(N)[C@H](O)[C@@H]2O[C@@H]2C1=O 257522947 QLMRBXGSYQJYML-JKUQZMGJSA-N 184.151 -2.605 0 30 AAAC O=C(O)[C@@H]1C[C@H](O)[C@H](O)CO1 12501763 YRPRHLNMFWDGSL-LMVFSUKVSA-N 162.141 -1.418 0 30 AAAC C[C@@](O)(C(=O)O)[C@H](O)C(=O)O 17487727 SUDDXMSROFLAQH-MVHIGOERSA-N 164.113 -1.733 0 30 AAAC C[C@@]12NCCN1CCN1CCN[C@H]12 34455111 BQVJIIFJTDCVSN-RKDXNWHRSA-N 182.271 -1.147 0 30 AAAC COC(=O)CN(C)C(=O)CCN 37818676 YKZZHGMZKDLRRR-UHFFFAOYSA-N 174.200 -1.033 0 30 AAAC C[C@@]1(O)OC[C@H](O)C1(O)O 6491067 BVIYGXUQVXBHQS-IUYQGCFVSA-N 150.130 -2.233 0 30 AAAC in-vivo N[C@@H](C(=O)O)C1CS(=O)(=O)C1 212800821 JDLVYZJEWWBIBW-SCSAIBSYSA-N 179.197 -1.557 0 30 AAAC O=c1c2nc[nH]c2nc2nn[nH]n12 17379617 SRGAXDQBMPQFLB-UHFFFAOYSA-N 177.127 -1.311 0 30 AAAC C1=N[C@@H]2C(n3cncn3)=NC=N[C@H]2N1 104400755 CABGMOONTUWKFY-NTSWFWBYSA-N 189.182 -1.107 0 30 AAAC O=C1OC[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O 59562180 WTXGYGWMPUGBAL-RSJOWCBRSA-N 178.140 -3.013 0 30 AAAC NS(=O)(=O)NCCO 115030345 JKTOKCJLZBURKJ-UHFFFAOYSA-N 140.164 -2.228 0 30 AAAC C[C@@H]1O[C@@H](O)C[C@H](N)[C@@H]1O 6920574 BBMKQGIZNKEDOX-UNTFVMJOSA-N 147.174 -1.198 0 30 AAAC O=C1CNC(N2CCOCC2)=N1 39133330 UFALLVJQUWCLOZ-UHFFFAOYSA-N 169.184 -1.196 0 30 AAAC C1NCC23CNCC12CNC3 75540387 KXKUWHXOPDYYCQ-UHFFFAOYSA-N 153.229 -1.231 0 30 AAAC N[C@@H]1C(=O)OC[C@@H]1O 106837952 JWYJRISKBFDBGT-HRFVKAFMSA-N 117.104 -1.769 0 30 AAAC O=c1ccn(CO)c(=O)n1CO 6119029 XVTXBNKTGQKGLQ-UHFFFAOYSA-N 172.140 -2.090 0 30 AAAC O=c1cc/c(=N\O)c(=O)/c1=N/O 206344504 GRFONTIAJGGAHL-IUMFQGNOSA-N 168.108 -2.138 0 30 AAAC CN(C)C(=O)[C@](C)(O)CO 34539938 XBOXMDUNPDHQFV-ZCFIWIBFSA-N 147.174 -1.182 0 30 AAAC N[C@H]1C(=O)N[C@H](C(=O)O)[C@@H]1O 39115690 OTFLHMRYVVDFLY-GJBJXMDJSA-N 160.129 -2.742 0 30 AAAC NC1=NC2=NC(=O)NC(=O)C2=N1 150074235 XQBOZPXPWOHNAA-UHFFFAOYSA-N 165.112 -1.596 0 30 AAAC C1NN[C@@H]2[C@@H]1[C@@H]1NC[C@@H]21 256600422 SCNQWDYBCDVXIX-MOJAZDJTSA-N 125.175 -1.319 0 30 AAAC C[C@@]12NCCN1CCN1CCN[C@@H]12 34455113 BQVJIIFJTDCVSN-DTWKUNHWSA-N 182.271 -1.147 0 30 AAAC CNC(=O)N[C@@H](NC(C)=O)C(=O)O 45820127 KWRRIPZEXQNSQG-SCSAIBSYSA-N 189.171 -1.538 0 30 AAAC NC(=O)[C@@H](N)[C@@H]1CCCO1 98210146 ALVGELMENIUCSV-WHFBIAKZSA-N 144.174 -1.022 0 30 AAAC in-vitro CO[C@@H]1NC(=O)N(CO)[C@@H]1OC 5998335 RLCNRJIGKFHYRP-CRCLSJGQSA-N 176.172 -1.094 0 30 AAAC NC[C@@H](C(=O)O)[C@H](N)C(=O)O 39136157 IZZAFIGUWUSOST-GBXIJSLDSA-N 162.145 -1.942 0 30 AAAC O=C1O[C@H](CO)[C@H]2OCO[C@@H]12 38301517 BQUWSJAOVPWMGZ-UOWFLXDJSA-N 160.125 -1.354 0 30 AAAC O=C1N(CO)COCN1CO 5191750 QQAVKLGSLZBVBF-UHFFFAOYSA-N 162.145 -1.445 0 30 AAAC COC[C@@H](CO)N1CCNCC1 199985257 PGFJVAUAMJZZBT-MRVPVSSYSA-N 174.244 -1.101 0 30 AAAC CN(C)[C@H]1C(=O)N[C@@H]1C(=O)O 39058010 RKGGJGIVVYNZPW-IUYQGCFVSA-N 158.157 -1.500 0 30 AAAC CN1CC(=O)N(C)[C@H](C(=O)O)C1=O 39115164 MKFNQKYOZKTIHF-YFKPBYRVSA-N 186.167 -1.630 0 30 AAAC CO[C@H]1O[C@H](CO)C[C@@H](O)[C@H]1O 204343203 ARNZRNVPEASSLV-WNJXEPBRSA-N 178.184 -1.538 0 30 AAAC NC1(CC(=O)O)CS(=O)(=O)C1 212800689 ISSWPXBHTZBQKU-UHFFFAOYSA-N 179.197 -1.413 0 30 AAAC C1NN[C@@H]2[C@@H]1[C@@H]1NC[C@H]21 256600419 SCNQWDYBCDVXIX-AZGQCCRYSA-N 125.175 -1.319 0 30 AAAC O=C(O)CCC(=O)OC[C@H](O)CO 38647757 DQHHKFVACXSZHQ-RXMQYKEDSA-N 192.167 -1.252 0 30 AAAC O=C1O[C@H]2[C@@H](O[C@@H](O)[C@H]2O)[C@@H]1O 96030332 OGLCQHRZUSEXNB-CIOUUCGESA-N 176.124 -2.649 0 30 AAAC biogenic O=C(O)C1(CO)CNC1 143892729 CTKOKGGHIAYFMP-UHFFFAOYSA-N 131.131 -1.347 0 30 AAAC NC(=O)[C@H](F)[C@H](N)C(=O)O 1568478 WCDMRIWUCBOWJP-NCGGTJAESA-N 150.109 -1.778 0 30 AAAC CC(=O)N1CC(=O)NC(=O)C1 39113566 MIAUQQUTAJUSSX-UHFFFAOYSA-N 156.141 -1.509 0 30 AAAC CC(=O)N1CC(=O)NCC1=O 39433512 UWHXRZLJWXTTOC-UHFFFAOYSA-N 156.141 -1.509 0 30 AAAC OC[C@@H]1O[C@@H]1CO 18282774 PENWRXZLRDTNBI-ZXZARUISSA-N 104.105 -1.262 0 30 AAAC C[C@@H](NC(=O)Cn1cnnn1)C(=O)O 19470967 XHYOKIAVUYPKEJ-SCSAIBSYSA-N 199.170 -1.738 0 30 AAAC CCOC(=O)[C@H](O)[C@H](O)C(=O)O 5856794 ZUDZWKJBYZAGBS-IUYQGCFVSA-N 178.140 -1.644 0 30 AAAC CCNC[C@H](O)CN1CCNCC1 39115234 AUYSZMZTVYOPBN-VIFPVBQESA-N 187.287 -1.138 0 30 AAAC NC1=N[C@@H]2C[C@H](N1)N[C@@H]2C(=O)O 39116082 YQNZBBCYFJAWJK-UZBSEBFBSA-N 170.172 -1.955 0 30 AAAC CS(=O)(=O)CC[C@@H](O)CN 82853079 RKZZILHVBBETEC-RXMQYKEDSA-N 167.230 -1.259 0 30 AAAC O=C(C1CNC1)N1CC[C@@H](O)C1 84411929 FEVSTRHVYUAYMR-SSDOTTSWSA-N 170.212 -1.201 0 30 AAAC N[C@@H](Cc1cncn1CCO)C(=O)O 5116980 GTRAYRSSCLGTSF-ZETCQYMHSA-N 199.210 -1.170 0 30 AAAC O=C1N[C@H](O)[C@@H](O)N1CO 5178899 SYPNXFTUXUIACQ-PWNYCUMCSA-N 148.118 -2.402 0 30 AAAC COC(=O)[C@H]1CNC[C@@H]1O 83267956 HBMQZGBGMKXGBN-WHFBIAKZSA-N 145.158 -1.260 0 30 AAAC N[C@@H](C(=O)O)[C@@H]1NC(=O)C1=O 117798030 URSDAALZRFSDMA-NCGGTJAESA-N 158.113 -2.534 0 30 AAAC NC[C@H](NCC(=O)O)C(=O)O 39058262 LAQKABYUBQMVRP-VKHMYHEASA-N 162.145 -1.928 0 30 AAAC CN1CC(=O)N(C)[C@@H](C(=O)O)C1=O 39115165 MKFNQKYOZKTIHF-RXMQYKEDSA-N 186.167 -1.630 0 30 AAAC COC(=O)[C@H](N)Cc1c[nH]c(=N)[nH]1 2265385528 GJLHITWDQZTNAL-RXMQYKEDSA-N 184.199 -1.135 0 30 AAAC CC(=O)NCNC(=O)COC(C)=O 39128445 OREGTBAGCFFCRF-UHFFFAOYSA-N 188.183 -1.241 0 30 AAAC C[C@@H](CO)S(N)(=O)=O 84152254 UZVBTOYEOSZCEQ-VKHMYHEASA-N 139.176 -1.344 0 30 AAAC CN(N)CCO 87100667 ZXOGWYNJXRYOEU-UHFFFAOYSA-N 90.126 -1.216 0 30 AAAC N[C@@H](CO)CN1CCCC1=O 108284372 XQZCEVSKKMMWKG-ZCFIWIBFSA-N 158.201 -1.072 0 30 AAAC OC[C@@H](O)C1CNC1 259177280 IBWPFVQNFBMXJB-RXMQYKEDSA-N 117.148 -1.441 0 30 AAAC NCC12CC(C(=O)O)(C1)[C@H](CO)O2 2265385717 IQSPEDLHQVHESB-JADALISFSA-N 187.195 -1.060 0 30 AAAC O=S1(=O)CCOS(=O)(=O)O1 5191073 VSANMHWDSONVEE-UHFFFAOYSA-N 188.182 -1.392 0 30 AAAC NC(=O)CN1CC[C@@H](O)C1 39079295 ZNTNXLDTWDVTMK-RXMQYKEDSA-N 144.174 -1.462 0 30 AAAC C[C@H](O)[C@@H](O)CN 115305188 BSLCSFCXSUCFQN-IMJSIDKUSA-N 105.137 -1.313 0 30 AAAC in-vitro NC/C=C/C(N)=O 116886484 IMQYTQYAJQROAO-OWOJBTEDSA-N 100.121 -1.013 0 30 AAAC O=S1(=O)CC[C@H](CO)N1 60107385 GDMWWRUTCBSAFE-SCSAIBSYSA-N 151.187 -1.330 0 30 AAAC O=C1CNS(=O)(=O)CCN1 144838192 GYKSAPCCQJYKNT-UHFFFAOYSA-N 164.186 -1.964 0 30 AAAC NC[C@@H](O)Cn1ccnn1 143169947 MJOYNKBCVVNDCM-RXMQYKEDSA-N 142.162 -1.402 0 30 AAAC OCC(CO)(CO)[C@H]1NCCO1 33638534 WLZNNRXZWUUMGD-LURJTMIESA-N 177.200 -2.104 0 30 AAAC C[C@H](O)CN1CCN(N)CC1 138801435 GFYHLQCKVVUBSK-ZETCQYMHSA-N 159.233 -1.142 0 30 AAAC NC(=O)c1c[nH]c(=O)[nH]1 307623072 QKIVRQAMDSDYJW-UHFFFAOYSA-N 127.103 -1.198 0 30 AAAC NC(=O)c1cncc[n+]1[O-] 45795762 XYXULWMOXYXBQV-UHFFFAOYSA-N 139.114 -1.186 0 30 AAAC C[C@](N)(CC(N)=O)C(=O)O 39072858 XGKIMQBEEPDCSR-YFKPBYRVSA-N 146.146 -1.336 0 30 AAAC NC(=O)[C@@H]1NC(=O)C(=O)NC1=O 100050233 VFTXVLPVYYVSBU-SFOWXEAESA-N 171.112 -3.387 0 30 AAAC NCCNC(=O)CC1=NCCN1 137984032 XEFSMGYCKVIBIN-UHFFFAOYSA-N 170.216 -1.547 0 30 AAAC OC[C@H](O)COC[C@@H]1CO1 5157216 RCXHRHWRRACBTK-NTSWFWBYSA-N 148.158 -1.245 0 30 AAAC NC(=O)N(O)C[C@H](N)C(=O)O 39136045 CZFKAPXAPMQYCJ-REOHCLBHSA-N 163.133 -1.832 0 30 AAAC O[C@@H]1CS[C@@H](O)[C@@H](O)[C@@H]1O 39593968 QWVJFKXOINHVGD-SQOUGZDYSA-N 166.198 -1.866 0 30 AAAC CO[C@@H]1O[C@H]([C@H](C)N)[C@@H](O)[C@H]1O 1857783264 OQMGRVFSMWORIA-PAMBMQIZSA-N 177.200 -1.573 0 30 AAAC NCCN1CCN(N(O)N=O)CC1 39115380 MQKQEOMFXWPLOV-UHFFFAOYSA-N 189.219 -1.150 0 30 AAAC C[C@@H]1NCC(=O)NC1=O 95924643 XNJHLZCLSPEUJN-VKHMYHEASA-N 128.131 -1.379 0 30 AAAC N[C@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1O 4102409 BQCCAEOLPYCBAE-RXRWUWDJSA-N 179.172 -3.255 0 30 AAAC in-vitro C[C@H](N)C(=O)OCC(N)=O 39072868 SFEWUVLLRMZYAD-VKHMYHEASA-N 146.146 -1.638 0 30 AAAC Cn1cnc2c1c(=O)nc(N)n2O 5116758 MDGMWFWAECOQFN-UHFFFAOYSA-N 181.155 -1.051 0 30 AAAC NS(=O)(=O)c1ccc[n+]([O-])c1 28769296 QHQOLLFVVFUJSY-UHFFFAOYSA-N 174.181 -1.033 0 30 AAAC NC(=O)C[C@@H](C(=O)O)S(=O)(=O)O 5131754 BCFOOQRXUXKJCL-REOHCLBHSA-N 197.168 -1.797 0 30 AAAC C[C@@H](C(=O)O)[C@H](O)[C@H](N)C(=O)O 13353476 KGABBVATCBBLQD-UZBSEBFBSA-N 177.156 -1.520 0 30 AAAC O=NN1CCN[C@H]2NCCN[C@@H]21 39113692 JYOOUYVQMJVHHK-PHDIDXHHSA-N 171.204 -1.582 0 30 AAAC NC(=O)[C@H](N)[C@H]1CCS(=O)(=O)C1 83144850 OZDYUKHEKUIDDO-CRCLSJGQSA-N 192.240 -1.766 0 30 AAAC CO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 5998230 HOVAGTYPODGVJG-OVHBTUCOSA-N 194.183 -2.567 0 30 AAAC endogenous,in-man OCOCC(CO)(CO)CO 33611414 RTLSOFVRIBIIHJ-UHFFFAOYSA-N 166.173 -2.084 0 30 AAAC O[C@H]1CNCC[C@@H](O)[C@@H]1O 39059026 KAYKUOQTIGNRCF-SRQIZXRXSA-N 147.174 -1.938 0 30 AAAC C[C@@](O)(C(=O)O)[C@@H](O)C(=O)O 17487723 SUDDXMSROFLAQH-VHUNDSFISA-N 164.113 -1.733 0 30 AAAC NN[C@H](Cc1c[nH]cn1)C(=O)O 19168824 OTXNLKCKMZUQKX-RXMQYKEDSA-N 170.172 -1.131 0 30 AAAC O[C@@]1(c2c[nH]nn2)CCNC1 238850663 CKNNGYLPGIOZGG-LURJTMIESA-N 154.173 -1.014 0 30 AAAC CN1CCOC[C@@]1(CN)CO 575528005 NMYQYBRQAVESCN-SSDOTTSWSA-N 160.217 -1.362 0 30 AAAC C[C@@H]1CN(C=O)[C@H](O)[C@H](O)N1C=O 39115352 SAYDIOJUYWQANF-QYNIQEEDSA-N 188.183 -2.058 0 30 AAAC C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO 200253657 NJSUAAJHYPEVBZ-SHUUEZRQSA-N 194.183 -2.989 0 30 AAAC CN1CCN([C@@H](CO)CCN)CC1 82391605 TWODBALBPXSRCT-SECBINFHSA-N 187.287 -1.057 0 30 AAAC N[C@H]1CON(CC(=O)O)C1=O 3641242 BLNMVEHKBXUWAG-VKHMYHEASA-N 160.129 -1.828 0 30 AAAC O=C1CNC(=O)[C@H](CCO)N1 34616734 YUMNGCOHGVQKNN-BYPYZUCNSA-N 158.157 -2.017 0 30 AAAC OC[C@@H]1CN[C@@H](CO)C1 221662301 IFOUUUVIVGFWGY-NTSWFWBYSA-N 131.175 -1.051 0 30 AAAC O=C(O)[C@H](O)CP(=O)(O)O 5830170 CDEGTXUGFDWJAA-UWTATZPHSA-N 170.057 -1.390 0 30 AAAC O[C@H]1C=c2occ[n+]2=C[CH-]1 53628839 FBENNMMAWQRPEH-ZCFIWIBFSA-N 137.138 -1.064 0 30 AAAC NCC(CN)S(N)(=O)=O 2265385549 JWBBLEAOVVWUCI-UHFFFAOYSA-N 153.207 -2.439 0 30 AAAC C[C@@H](O[SiH](CO)CO)C(=O)O 238790486 RBZINQLKSIPUBQ-SCSAIBSYSA-N 180.232 -1.737 0 30 AAAC O[C@H]1C[C@H]2[C@H](O)[C@@H](O)CN2C1 38234064 XJDUYDXRNMJERX-AXMZGBSTSA-N 159.185 -1.843 0 30 AAAC OCC[C@H]1NC[C@H](O)[C@@H]1O 38972946 KHKQVMZXGURLQW-NGJCXOISSA-N 147.174 -1.938 0 30 AAAC N=C(N)N1C(=O)CC[C@@H]1C(=O)O 96336617 VTFHUPNPAZCWEV-GSVOUGTGSA-N 171.156 -1.045 0 30 AAAC CC(=O)NCC(=O)NOCC(N)=O 39126144 HLYZCBUGADCVNW-UHFFFAOYSA-N 189.171 -2.344 0 30 AAAC CN(C)C(=O)[C@H](N)CC(=O)O 39135589 USAAXKNUNARPCY-SCSAIBSYSA-N 160.173 -1.123 0 30 AAAC CN1CCN(C)[C@@H](CC(N)=O)C1=O 39115072 NVHSBECJDNGEPC-LURJTMIESA-N 185.227 -1.366 0 30 AAAC NCCOC=C[C@H](N)C(=O)O 2265324112 USGUVNUTPWXWBA-YFKPBYRVSA-N 160.173 -1.113 0 30 AAAC O=C1OC(=O)[C@H]2[C@H]1[C@H]1O[C@H]2[C@@H]2O[C@H]21 100494131 DEEDDGAXEIHTMA-VTJCEZEHSA-N 182.131 -1.149 0 30 AAAC CN[C@@H]1NN[C@H](S(N)(=O)=O)S1 39054594 DCTBCYCSLBOHRF-GBXIJSLDSA-N 198.273 -2.098 0 30 AAAC Cn1nc(N)c(C(N)=O)c1N 39136879 WCSCPWGSLHZKBR-UHFFFAOYSA-N 155.161 -1.317 0 30 AAAC NC(=O)C1(N)COC1 87597519 DEMGHQQCSFGXDZ-UHFFFAOYSA-N 116.120 -1.801 0 30 AAAC CS(=O)(=O)[C@@H]1CNC(=O)C1 238378302 IHKYZPANJHOFNU-BYPYZUCNSA-N 163.198 -1.081 0 30 AAAC O=C1O[C@H]([C@H](O)CO)C[C@@H]1O 4691982 NSEFGBGANVMEIR-LMVFSUKVSA-N 162.141 -1.984 0 30 AAAC CNC(=O)[C@H]1C[C@H](O)CN1 20433813 GVJLLBKPPKVEAZ-CRCLSJGQSA-N 144.174 -1.545 0 30 AAAC CO[C@H]1NC(=O)N[C@@H]1O 33637229 FIGXZOBRWFEACW-PWNYCUMCSA-N 132.119 -1.410 0 30 AAAC O=C1NNC(=O)[C@H]2NC=N[C@H]12 98178891 BODGSKRVXSPADQ-HRFVKAFMSA-N 154.129 -2.484 0 30 AAAC O=C(O)[C@@H]1CC(=O)N(C2CNC2)C1 107130082 NCBXOPSCSPPMSD-RXMQYKEDSA-N 184.195 -1.109 0 30 AAAC N[S@@](=O)C1CS(=O)(=O)C1 675072174 ZSVROFPXJOTFRT-QMMMGPOBSA-N 169.227 -1.594 0 30 AAAC O=C1CN(CCO)C(=O)CN1 39113629 HOSLUKCGZJOZNK-UHFFFAOYSA-N 158.157 -2.063 0 30 AAAC O[C@@H]1C[C@@H]2[C@@H](O)[C@H](O)CN2C1 38950861 XJDUYDXRNMJERX-DBRKOABJSA-N 159.185 -1.843 0 30 AAAC OC[C@H]1O[C@@H](O)[C@H](O)C[C@H]1O 44607996 RJDIFQMDPPUATQ-KVTDHHQDSA-N 164.157 -2.192 0 30 AAAC in-vitro O=C(O)[C@H](O)[C@@H](F)C(=O)O 39125627 FJOQIMHGSNFURE-JCYAYHJZSA-N 152.077 -1.145 0 30 AAAC O=C1N(CO)[C@@H](O)[C@H](O)N1CO 2039195 ZEYUSQVGRCPBPG-IMJSIDKUSA-N 178.144 -2.740 0 30 AAAC N[C@@H]1C(=O)N[C@H]1C(=O)O 84306571 NTCFPWFFFBNPOB-NHYDCYSISA-N 130.103 -2.103 0 30 AAAC NC[C@]1(CO)COCCN1 536949734 RIGYDJPONGQAFQ-LURJTMIESA-N 146.190 -1.704 0 30 AAAC C1NN[C@H]2[C@@H]1[C@@H]1CN[C@@H]21 39095857 WEPFXYDJQOSLPB-AZGQCCRYSA-N 125.175 -1.319 0 30 AAAC CN[C@H](CNCCN(C)C)C(=O)O 258575929 DNNYAIOOFKSVEB-SSDOTTSWSA-N 189.259 -1.190 0 30 AAAC CN1CC(=O)N(C)[C@H](O)C1=O 39113635 LFSASBPDKOKOLZ-ZCFIWIBFSA-N 158.157 -1.765 0 30 AAAC NS(=O)(=O)[C@@H]1CNCCOC1 616664137 VMRYZSGBNQOYTP-RXMQYKEDSA-N 180.229 -1.737 0 30 AAAC NC(=O)C1=C(N)[C@H](O)[C@H]2O[C@@H]2C1=O 257522948 QLMRBXGSYQJYML-KVQBGUIXSA-N 184.151 -2.605 0 30 AAAC CNCC[C@H](O)CO 59189622 ZQNSAAQTUHTYCK-YFKPBYRVSA-N 119.164 -1.051 0 30 AAAC CCOC(=O)[C@@H]1NC(=O)NC1=O 34451976 MVISIPRIDXSOPX-GSVOUGTGSA-N 172.140 -1.243 0 30 AAAC OC[C@H]1CNC[C@H](O)[C@H]1O 2526400 QPYJXFZUIJOGNX-SRQIZXRXSA-N 147.174 -2.080 0 30 AAAC OC[C@@H]1CNC[C@H](CO)O1 211297219 GETXODYPLYGMHT-OLQVQODUSA-N 147.174 -1.672 0 30 AAAC O=C(CO)NCCN1CCNCC1 39115252 OYRNATSHLIPUTG-UHFFFAOYSA-N 187.243 -2.000 0 30 AAAC N[C@@H]1CS(=O)(=O)N=C1O 29208471 YNGHWOLHQBCKHS-UWTATZPHSA-N 150.159 -1.386 0 30 AAAC CC(=O)N1C(=O)NC(=O)[C@@H]1O 39070666 VHIFYFPCJVVECI-BYPYZUCNSA-N 158.113 -1.597 0 30 AAAC Cc1nnnn1CCN 42199146 KKBKDJXIELANNO-UHFFFAOYSA-N 127.151 -1.060 0 30 AAAC N=C(N)NP(=O)(O)O 100448001 LPKCJFLRJWWIDI-UHFFFAOYSA-N 139.051 -1.438 0 30 AAAC C[C@@H]1NNC(=S)NC1=O 143646819 GMDOYMBGEAOBIW-REOHCLBHSA-N 145.187 -1.116 0 30 AAAC OC(O)C(O)O 6904108 AXCZRQHGMPTZPR-UHFFFAOYSA-N 94.066 -2.392 0 30 AAAC CN[C@H]1NN[C@@H](S(N)(=O)=O)S1 39054597 DCTBCYCSLBOHRF-STHAYSLISA-N 198.273 -2.098 0 30 AAAC O[C@H]1[C@@H]2CNC[C@@]3(CO[C@@H]13)O2 39059929 TVNPWXAMACRKKV-AXMZGBSTSA-N 157.169 -1.513 0 30 AAAC COC(=O)[C@@](C)(N)CN 39072755 PVGQUBKVBPGUPH-YFKPBYRVSA-N 132.163 -1.165 0 30 AAAC OC[C@@H]1NC[C@@](O)(CO)[C@@H]1O 213128745 ZQMIUAFBMMIDFA-KVQBGUIXSA-N 163.173 -2.965 0 30 AAAC OCCOCC[C@@H]1CNCCN1 39113913 CDNGOUUFZNXQSM-MRVPVSSYSA-N 174.244 -1.053 0 30 AAAC O=C1NC[C@@H](CO)N1 59636944 JDXWVZWFFCLGPU-VKHMYHEASA-N 116.120 -1.340 0 30 AAAC C[C@H]1CNC[C@@H](C(N)=O)O1 238473952 OCCUOFVJVBKROR-WHFBIAKZSA-N 144.174 -1.151 0 30 AAAC C[C@@H]1C(=O)NCCN1CCO 34263486 DYDPKFLAASLKBB-ZCFIWIBFSA-N 158.201 -1.201 0 30 AAAC NC1=NC(=O)C2=NC=NC2=[N+]1[O-] 38611756 XDNQOZJUAKIHHK-UHFFFAOYSA-N 165.112 -1.767 0 30 AAAC NC1=C(O)[C@@H](CO)OC1=O 100097930 YQVULIINUSFDQQ-UWTATZPHSA-N 145.114 -1.368 0 30 AAAC C[C@H]1NC2(CNC1=O)COC2 108283546 BHMGONXEUNBKBA-RXMQYKEDSA-N 156.185 -1.137 0 30 AAAC O=C(O)[C@@H](O)[C@@H](F)C(=O)O 6072526 FJOQIMHGSNFURE-NCGGTJAESA-N 152.077 -1.145 0 30 AAAC O=C(O)C(=O)[C@@H](O)[C@H](O)C(=O)CO 30724509 RXMWXENJQAINCC-DMTCNVIQSA-N 192.123 -3.077 0 30 AAAC in-vitro,metabolite O=C(O)[C@@H]1CNC[C@H](C(=O)O)N1 33799774 AHWWYXLUWXDFLF-ZXZARUISSA-N 174.156 -1.914 0 30 AAAC NCCCN(CCN)CCCN 34571768 XBVKJTPKQHUYHI-UHFFFAOYSA-N 174.292 -1.055 0 30 AAAC NC(=O)[C@@H](O)CC(=O)O 95347907 LBHSPGVVTCCSOH-REOHCLBHSA-N 133.103 -1.693 0 30 AAAC in-vitro NNCC(N)=O 19170174 HHNPLTWPAOGPOZ-UHFFFAOYSA-N 89.098 -2.065 0 30 AAAC O=C1CN2C(=O)CCN[C@@H]2CN1 39113669 CYCRMTFRHLQFIV-YFKPBYRVSA-N 169.184 -1.736 0 30 AAAC Nc1nnc(C(=O)O)c(=O)[nH]1 1622234 WWRSBGQVXOZNDV-UHFFFAOYSA-N 156.101 -1.555 0 30 AAAC CO[C@H]1[C@@H](OC)NC(=O)N1CO 5998202 RLCNRJIGKFHYRP-UHNVWZDZSA-N 176.172 -1.094 0 30 AAAC O=C1NCCN2C[C@@H](O)C[C@@H]12 255981602 JQCSFFVNZWKQOP-WDSKDSINSA-N 156.185 -1.449 0 30 AAAC C[C@@H](O)[C@@H]1NC[C@H](O)[C@@H]1O 39059020 HVRWFMCLXNLOCH-VANKVMQKSA-N 147.174 -1.939 0 30 AAAC CC(=O)[C@@H](O)OS(=O)(=O)O 96332028 KYXDFKSRGBAAIK-VKHMYHEASA-N 170.142 -1.287 0 30 AAAC N[C@@H]1[C@H](O)C[C@H](CO)[C@@H](O)[C@@H]1O 196412806 PFDAVRXLZIYAFH-NYMZXIIRSA-N 177.200 -2.591 0 30 AAAC N[C@H](CC(=O)O)[C@@H](O)C(=O)O 13353968 FYEASJKRDJYNDI-VVJJHMBFSA-N 163.129 -1.766 0 30 AAAC CN1C(=O)[C@H](O)N(C)C(=O)[C@@H]1O 39113939 BMRAIUZOEQBBAN-DZSWIPIPSA-N 174.156 -2.446 0 30 AAAC O=S(=O)(O)CCOCCO 113534690 HHOUUNSSXPYWKJ-UHFFFAOYSA-N 170.186 -1.117 0 30 AAAC CCc1nnc(N)n(N)c1=O 34278569 NZUQFUDOBZRUNR-UHFFFAOYSA-N 155.161 -1.503 0 30 AAAC COC(=O)CNC(=O)C1(N)CC1 83340092 DBOHIJBAWOUXTJ-UHFFFAOYSA-N 172.184 -1.233 0 30 AAAC CNC(=O)C1(N)COC1 585144672 VOAAXKLRDWJFFI-UHFFFAOYSA-N 130.147 -1.540 0 30 AAAC N[C@H](Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O 1569826 GDRSOHBLEJXJIV-SCSAIBSYSA-N 199.166 -1.982 0 30 AAAC C[C@H](N)CS(N)(=O)=O 79962280 GUNGEZIOCUKWHN-VKHMYHEASA-N 138.192 -1.378 0 30 AAAC CNc1c(N)c(=O)n(C)c(=O)n1C 5353718 XURYKCXOMIQDEA-UHFFFAOYSA-N 184.199 -1.292 0 30 AAAC OCC(CO)(CO)[C@@H]1NCCO1 33638532 WLZNNRXZWUUMGD-ZCFIWIBFSA-N 177.200 -2.104 0 30 AAAC CN1c2nc[nH]c2C(=O)N[C@H]1O 45821180 VWLPWVZZYHNADQ-ZCFIWIBFSA-N 168.156 -1.135 0 30 AAAC O=C(C(O)O)N1CCCC1 299805212 CWGCQQGQIYPRCF-UHFFFAOYSA-N 145.158 -1.081 0 30 AAAC O[C@@H]1[C@H]2OC[C@@H](O2)[C@@H]2O[C@H]12 306302081 NDCSJPPJAVCLMI-PHYPRBDBSA-N 144.126 -1.130 0 30 AAAC in-vitro Cn1nnnc1C1(O)CNC1 575449459 LAMKMRSWYAAPIB-UHFFFAOYSA-N 155.161 -1.999 0 30 AAAC OCNCCNCO 22589811 HUKGOLYOCFANQI-UHFFFAOYSA-N 120.152 -1.935 0 30 AAAC N[C@H]1C[C@@H](O)[C@@H](O)[C@H]1O 96029975 UUKWSEIZIMUXPU-SKNVOMKLSA-N 133.147 -2.200 0 30 AAAC in-vitro O=C1NC(=O)[C@H]2C(CO)=C[C@H]12 100049540 VWYPPACEJLSUBL-WHFBIAKZSA-N 153.137 -1.193 0 30 AAAC O[C@@H]1[C@H]2OC[C@@H](O2)[C@@H]2O[C@@H]12 100516833 NDCSJPPJAVCLMI-URLGYRAOSA-N 144.126 -1.130 0 30 AAAC in-vitro N[C@H](CNC(=O)C=O)C(=O)O 196182968 BBAWQHOBKZYZIH-GSVOUGTGSA-N 160.129 -2.287 0 30 AAAC CS(=O)(=O)C[C@@H](N)CO 258602320 VAPXJUSIEXVLPQ-BYPYZUCNSA-N 153.203 -1.649 0 30 AAAC NC(=O)[C@@H]1NCCN[C@@H]1C(=O)O 39113887 JMHKLIVXLXORSV-DMTCNVIQSA-N 173.172 -2.514 0 30 AAAC N[C@H]1C[C@@H](O)C[C@H]1N 104646206 FMBIQZAABNLKQQ-ZXFHETKHSA-N 116.164 -1.204 0 30 AAAC OCN1CCN(CO)C1=S 2018725 QXYJLKUVMPXXKA-UHFFFAOYSA-N 162.214 -1.212 0 30 AAAC OC[C@@H](O)CNC[C@H](O)CO 38613902 SAMGBMSEBPZABZ-WDSKDSINSA-N 165.189 -2.718 0 30 AAAC Cn1ncnc1C[C@@H](N)C(N)=O 83971411 PQZKOHFPGGIZCN-SCSAIBSYSA-N 169.188 -1.830 0 30 AAAC C[S@@](=O)C[C@@H](O)CN 150028208 CRSZGRDBSPUNJM-NVNXEXLPSA-N 137.204 -1.316 0 30 AAAC O=C1NN=C(CO)[C@@H](O)[C@@H]1O 38973087 OBLZDSVLPIREDN-DMTCNVIQSA-N 160.129 -2.814 0 30 AAAC Nc1c(CO)ncc[n+]1[O-] 39060931 AZCFSZRDSQMQGB-UHFFFAOYSA-N 141.130 -1.211 0 30 AAAC C[C@]1(O)NC(=O)[C@@H]2CCCN2C1=O 39114483 WSWHBGTUBPZRGF-YLWLKBPMSA-N 184.195 -1.184 0 30 AAAC COC(=O)[C@H](CO)NC(=O)CN 5997354 IZKCPSKYPGYKRF-BYPYZUCNSA-N 176.172 -2.405 0 30 AAAC CO[C@@H]1NC(=O)N[C@@H]1O 33637230 FIGXZOBRWFEACW-GBXIJSLDSA-N 132.119 -1.410 0 30 AAAC NCCCCN(CO)CO 39079872 KIOANFZSWZITSQ-UHFFFAOYSA-N 148.206 -1.073 0 30 AAAC NNC1CS(=O)(=O)C1 104563286 QDQOSDVXHDKDLT-UHFFFAOYSA-N 136.176 -1.753 0 30 AAAC NC[C@]1(O)CCCS(=O)(=O)C1 82681683 BYWLYVYEZGYOIR-ZCFIWIBFSA-N 179.241 -1.115 0 30 AAAC O=C1NC(=O)[C@@H]2NCCC[C@H]2N1 206482073 FAXVSJWPXNLKIO-RFZPGFLSSA-N 169.184 -1.054 0 30 AAAC Cn1c(N)c(NC=O)c(=O)[nH]c1=O 1574471 WIORCHCZQJVXLD-UHFFFAOYSA-N 184.155 -1.776 0 30 AAAC CC(=O)N(C)C(=O)CN 39077841 BHXQBQHIDBCUEY-UHFFFAOYSA-N 130.147 -1.050 0 30 AAAC N=C(N)c1nn[nH]c1N 5544260 JUZNULIJPHIETQ-UHFFFAOYSA-N 126.123 -1.329 0 30 AAAC O=C(O)[C@@H]1C[C@H](C(=O)O)N1 2567368 JMVIGOFRIJJUAW-WSOKHJQSSA-N 145.114 -1.114 0 30 AAAC in-vitro CN(C)c1c(N)c(=O)c1=O 34515231 CFEUDNVBUBDBGS-UHFFFAOYSA-N 140.142 -1.069 0 30 AAAC NCC[C@@H](O)CN 5113468 HXMVNCMPQGPRLN-SCSAIBSYSA-N 104.153 -1.345 0 30 AAAC C[C@H](CO)C(=O)NCC(=O)O 39058249 QJCFYDHPKKEQMT-SCSAIBSYSA-N 161.157 -1.184 0 30 AAAC NC(=O)[C@@]1(N2CCNCC2)CCOC1 70992704 WKNQEQDVCYVFKC-SECBINFHSA-N 199.254 -1.464 0 30 AAAC CC1(N)CN(S(C)(=O)=O)C1 84353763 TZFWVATTXSAIKZ-UHFFFAOYSA-N 164.230 -1.021 0 30 AAAC NC1=N[C@H](CO)[C@@H](O)CN1 95923268 JFUVRZIGJBZDFD-DMTCNVIQSA-N 145.162 -2.374 0 30 AAAC NC(=O)[C@H]1NC(=O)NC1=O 5023875 FJCLSLJIRFXGHB-PVQJCKRUSA-N 143.102 -2.320 0 30 AAAC in-vitro CC(=O)C1=NN(C)[C@@](N)(O)C1=O 39069449 QAXDPDUEEDBPCV-ZCFIWIBFSA-N 171.156 -1.949 0 30 AAAC CNC[C@@H](O)CN 34165484 KLYMOBVXBBPTGW-BYPYZUCNSA-N 104.153 -1.475 0 30 AAAC in-vitro N[C@H]1CN[C@H](CO)C1 72266181 GATJYQXOTIFFMS-UHNVWZDZSA-N 116.164 -1.332 0 30 AAAC COC(=O)[C@@H]1COS(=O)(=O)N1 958748816 ZVUAICDRECZJGG-VKHMYHEASA-N 181.169 -1.607 0 30 AAAC CC(=O)N1CCN[C@H](CO)C1 39070657 DGUZPMRLCVSJPU-ZETCQYMHSA-N 158.201 -1.201 0 30 AAAC OC[C@H]1OC[C@H](O)[C@@H]1O 16051849 KZVAAIRBJJYZOW-LMVFSUKVSA-N 134.131 -1.901 0 30 AAAC in-vitro NCCN1C[C@H](O)[C@@H](O)C1 34454840 QGYKHFXTWWKKHL-WDSKDSINSA-N 146.190 -2.018 0 30 AAAC N[C@@H](C(=O)O)C(C(=O)O)C(=O)O 5131898 OQFSQFPPLPISGP-UWTATZPHSA-N 177.112 -1.816 0 30 AAAC CCOC(=O)[C@H]1NC(=O)NC1=O 34451974 MVISIPRIDXSOPX-VKHMYHEASA-N 172.140 -1.243 0 30 AAAC O=C(NCO)NC(=O)C(O)O 39058409 PYZKVRYPZRGIOM-UHFFFAOYSA-N 164.117 -2.927 0 30 AAAC OCC[C@H]1CNC[C@H](CCO)N1 39113920 NVIJLVAUKMTVLO-YUMQZZPRSA-N 174.244 -1.319 0 30 AAAC C[C@@H]1NC(=O)[C@H](CC(N)=O)NC1=O 38416300 CNUXHBDSGYULLI-IMJSIDKUSA-N 185.183 -2.135 0 30 AAAC CC(=O)Nc1c(O)nc(NN)[nH]c1=O 38804405 HCXMTOQFCVULBI-UHFFFAOYSA-N 199.170 -1.281 0 30 AAAC CC(=O)N[C@@H]1C(=O)N=C(O)N[C@@H]1N 39129107 MJOZEDYKJKYABV-IMJSIDKUSA-N 186.171 -2.180 0 30 AAAC Nc1n[nH]nc1N 84236181 DQSBZDLZCZUJCJ-UHFFFAOYSA-N 99.097 -1.031 0 30 AAAC C1N[C@@H]2[C@@H]1[C@@H]1CNN[C@H]12 256604782 WEPFXYDJQOSLPB-UNTFVMJOSA-N 125.175 -1.319 0 30 AAAC Nc1nc(=O)c2c([nH]1)=NC(=O)CN=2 95863025 RIHBTWJHMHGKMM-UHFFFAOYSA-N 179.139 -2.869 0 30 AAAC N[C@H](CO)P(=O)(O)O 5131806 RVUUAGQILBTWHJ-REOHCLBHSA-N 141.063 -1.559 0 30 AAAC NOC[C@H](O)CO 20230893 LHTDOTAGCRFCTB-GSVOUGTGSA-N 107.109 -1.770 0 30 AAAC in-vitro COC(=O)CN[S@@](=O)O 39057618 IQZYQQUOYJZKJN-UHFFFAOYSA-N 153.159 -1.114 0 30 AAAC C[C@@]1(O)NC(=O)[C@@H]2CCCN2C1=O 39114482 WSWHBGTUBPZRGF-XNCJUZBTSA-N 184.195 -1.184 0 30 AAAC COCN1C(=O)N(CO)[C@H](O)[C@H]1O 5701188 KGMHAIHCEYDEIV-RFZPGFLSSA-N 192.171 -2.086 0 30 AAAC O=C(O)COc1nc(=O)[nH]c(=O)[nH]1 147227344 UMNCDHMPZYSSGV-UHFFFAOYSA-N 187.111 -2.078 0 30 AAAC NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 16976845 IKPYGNYNWRCKKG-KVTDHHQDSA-N 163.173 -2.573 0 30 AAAC in-vitro N[C@@H]1C(=O)N[C@H](C(=O)O)[C@@H]1O 100284748 OTFLHMRYVVDFLY-XZIMBLGRSA-N 160.129 -2.742 0 30 AAAC CN1CCN=C(NC#N)C1=O 39059382 YQAOMIDDMHQTJE-UHFFFAOYSA-N 152.157 -1.072 0 30 AAAC CC(=O)CC(=O)NCC(N)=O 5196433 RNRMBJKSBHBTFK-UHFFFAOYSA-N 158.157 -1.433 0 30 AAAC NC(=O)[C@]1(N)CCOC1 82427123 UYZGJJIHZKHDTQ-YFKPBYRVSA-N 130.147 -1.411 0 30 AAAC CC(=O)OC[C@H](N)CO 97053916 PLNKLNFRKMRPIU-RXMQYKEDSA-N 133.147 -1.131 0 30 AAAC in-vitro O=C1NC(=O)[C@H]2NCCC[C@@H]2N1 206482040 FAXVSJWPXNLKIO-WHFBIAKZSA-N 169.184 -1.054 0 30 AAAC N[C@H]1CC[C@H](O)[C@@H]1O 117787887 JBSOEJULKZXSPK-VAYJURFESA-N 117.148 -1.171 0 30 AAAC O=CNCCN1CCN(C=O)CC1 39115132 ALVXBHULHKSXMN-UHFFFAOYSA-N 185.227 -1.494 0 30 AAAC C[C@@H](O)CN1CCN(N)CC1 138801523 GFYHLQCKVVUBSK-SSDOTTSWSA-N 159.233 -1.142 0 30 AAAC O=C1NNC(=O)[C@H]2C[C@H]12 100248946 JUDZQAANDBTZIQ-HRFVKAFMSA-N 126.115 -1.217 0 30 AAAC N[C@@H]1COC[C@H]1CO 107302359 UEOVIIQBMQIOGG-RFZPGFLSSA-N 117.148 -1.048 0 30 AAAC O=C1NC(=O)[C@H](C2CNC2)N1 82844000 BWCAXLWLVICMQY-BYPYZUCNSA-N 155.157 -1.586 0 30 AAAC C[C@H]1O[C@H](O)C[C@H](N)[C@@H]1O 96077775 BBMKQGIZNKEDOX-DPYQTVNSSA-N 147.174 -1.198 0 30 AAAC C[C@H](NC(=O)Cn1cnnn1)C(=O)O 19470969 XHYOKIAVUYPKEJ-BYPYZUCNSA-N 199.170 -1.738 0 30 AAAC O=C(O)COC(=O)CO 38233871 NYCQHRWCDWJIEG-UHFFFAOYSA-N 134.087 -1.394 0 30 AAAC NS(=O)(=O)C1(CO)CC1 219280554 CQRDTMLTMKCWAM-UHFFFAOYSA-N 151.187 -1.200 0 30 AAAC in-vitro NNc1cc(C(N)=O)ncn1 723233853 FSFMLQHYZJLAQU-UHFFFAOYSA-N 153.145 -1.139 0 30 AAAC O=C(CO)N(CCO)CCO 1561445 AFRFYMZFIJPPDD-UHFFFAOYSA-N 163.173 -2.208 0 30 AAAC CC(=O)OC[C@@H](N)CO 97053920 PLNKLNFRKMRPIU-YFKPBYRVSA-N 133.147 -1.131 0 30 AAAC in-vitro Cn1c(=O)n(C)c2c(=O)[nH]c(O)nc21 5783565 ZWFQLYWQCGUUNB-UHFFFAOYSA-N 196.166 -1.334 0 30 AAAC endogenous,world CCOC(=O)[C@H](N)c1nnn[nH]1 75423180 CIDMRTBBBHQUDF-GSVOUGTGSA-N 171.160 -1.237 0 30 AAAC C[C@H](O)C(=O)NCO 2042501 LBEKTNDJBSEURC-VKHMYHEASA-N 119.120 -1.567 0 30 AAAC NC[C@H](N)CO 22590222 QHBWSLQUJMHGDB-VKHMYHEASA-N 90.126 -1.735 0 30 AAAC in-vitro CC(=O)NC[C@@H](O)[C@@H](O)CO 45796435 YYAMYCCVLMQELR-RITPCOANSA-N 163.173 -2.163 0 30 AAAC NCC(=O)CC(=O)O 13540812 YCSUSNVQZDYEKF-UHFFFAOYSA-N 117.104 -1.011 0 30 AAAC NC(=O)[C@@H](N)[C@@H]1CCS(=O)(=O)C1 83144843 OZDYUKHEKUIDDO-UHNVWZDZSA-N 192.240 -1.766 0 30 AAAC CCNC[C@@H](O)CO 5650436 DHWUBIRULANTFI-RXMQYKEDSA-N 119.164 -1.051 0 30 AAAC O=C1OC(=O)[C@@H]2[C@H]1[C@H]1O[C@H]2[C@@H]2O[C@H]21 145420548 DEEDDGAXEIHTMA-YORTWTKJSA-N 182.131 -1.149 0 30 AAAC NCCC[C@@H](N)CC(=O)NCN 2020237 CRSXNVVRUNDJIA-ZCFIWIBFSA-N 174.248 -1.525 0 30 AAAC in-vitro OC[C@@H]1NC[C@H]2CNC[C@@H]21 24255511 HQMJWVCANIVKHA-VQVTYTSYSA-N 142.202 -1.214 0 30 AAAC COC(=O)CN[C@@H]1CC(=O)NC1=O 102669239 HLRMLOMCTUNDRT-SCSAIBSYSA-N 186.167 -1.836 0 30 AAAC CNC(=O)n1cnc(C(N)=O)c1N 138822601 AGQNTADHDRGUOT-UHFFFAOYSA-N 183.171 -1.248 0 30 AAAC in-vitro N=C(N)NCCNCCNC(=N)N 26389400 PDNVDHJCDRAOFQ-UHFFFAOYSA-N 187.251 -2.458 0 30 AAAC O=C1O[C@@H]2[C@H](O)[C@H](O)O[C@@H]2[C@@H]1O 901437 OGLCQHRZUSEXNB-XCXLDAFSSA-N 176.124 -2.649 0 30 AAAC biogenic,in-vitro N[C@@H](Cn1cnnn1)C(=O)O 33975187 FIRCXPJWMMAHDL-VKHMYHEASA-N 157.133 -1.915 0 30 AAAC N[C@@H]1NCN[C@@H]2NCN[C@@H]21 33791573 GXSFTOWUOAUHIE-WDCZJNDASA-N 143.194 -2.734 0 30 AAAC CONS(N)(=O)=O 146832236 OOLWWJRDOJHMJX-UHFFFAOYSA-N 126.137 -1.659 0 30 AAAC in-vitro COC(=O)C1=C(OC)C(=O)NC1=O 39090246 ZBNPCHDJFOTRQL-UHFFFAOYSA-N 185.135 -1.284 0 30 AAAC O=C1CN(C(=O)C2CC2)CC(=O)N1 39114384 NKCOFBROIWHJRN-UHFFFAOYSA-N 182.179 -1.119 0 30 AAAC NC[C@H]1NC[C@H](F)[C@@H](O)[C@@H]1O 39089041 OTAJQGYBRANPDP-SLPGGIOYSA-N 164.180 -2.023 0 30 AAAC N[C@@]1(C(=O)O)[C@@H]2C[C@H](C[C@@H]2O)[C@H]1O 256415553 DXHGEDISXCJDCW-WVISBBDJSA-N 187.195 -1.470 0 30 AAAC CCOC(=O)[C@H]1NC=N[C@H]1N 39057989 AXKWOLWGODVHLU-CRCLSJGQSA-N 157.173 -1.166 0 30 AAAC COC(=O)[C@H](N)CNC(C)=O 39058179 GZDWTUWAKZNUKA-RXMQYKEDSA-N 160.173 -1.377 0 30 AAAC O=C1C[S@@](=O)CCN1 40544505 PTNKLPDOKOAQFQ-MRVPVSSYSA-N 133.172 -1.135 0 30 AAAC in-vitro C1CNC(C2NCCN2)=N1 140698555 PHKWVUZJZIVCIV-UHFFFAOYSA-N 140.190 -1.493 0 30 AAAC NC(=O)COP(=O)(O)O 5410057 HBBQSXPJDHYYNR-UHFFFAOYSA-N 155.046 -1.419 0 30 AAAC CNCCCOC[C@@H](O)CN 39136088 OBISHMSROWOEJY-ZETCQYMHSA-N 162.233 -1.068 0 30 AAAC NC1=N[C@H]2C[C@@H](N1)[C@H](C(=O)O)N2 141294635 YQNZBBCYFJAWJK-FLRLBIABSA-N 170.172 -1.955 0 30 AAAC Nc1cc2nnc(N)n2n1N 39133682 LXWAQVHDZOQHRN-UHFFFAOYSA-N 153.149 -1.591 0 30 AAAC N[C@@]1(C(=O)O)[C@@H]2C[C@H](C[C@@H]2O)[C@@H]1O 256415548 DXHGEDISXCJDCW-WIKBCIAESA-N 187.195 -1.470 0 30 AAAC O=C1C[C@@H](O)[C@@H](CO)O[C@H]1O 22055752 UHPMJDGOAZMIID-UYFOZJQFSA-N 162.141 -1.984 0 30 AAAC in-vitro C1=[n+]2c(ncc3c2=NON3)O[CH-]1 95922180 WUEOBPZWOASICL-UHFFFAOYSA-N 164.124 -1.175 0 30 AAAC Cc1nn(C)/c(=N/N)n1C 100229593 YAHBKKMYWDFNPD-FNORWQNLSA-N 141.178 -1.159 0 30 AAAC CNC(=C[N+](=O)[O-])NC(=N)N 4089816 LOSSUBRUNJRFOX-UHFFFAOYSA-N 159.149 -1.236 0 30 AAAC CN(C)CCS(N)(=O)=O 39199673 YSOMKNSPOJDDKX-UHFFFAOYSA-N 152.219 -1.164 0 30 AAAC in-vitro OCC[C@@H]1CNC[C@@H](CCO)N1 39113919 NVIJLVAUKMTVLO-HTQZYQBOSA-N 174.244 -1.319 0 30 AAAC O[C@@H]1C=c2occ[n+]2=C[CH-]1 53628840 FBENNMMAWQRPEH-LURJTMIESA-N 137.138 -1.064 0 30 AAAC C1NN[C@@H]2[C@@H]1[C@H]1NC[C@H]12 256600425 SCNQWDYBCDVXIX-VANKVMQKSA-N 125.175 -1.319 0 30 AAAC NCC12CC(C(=O)O)(C1)[C@@H](CO)O2 2265385718 IQSPEDLHQVHESB-LDXLETFUSA-N 187.195 -1.060 0 30 AAAC N[C@@]1(C(=O)O)C[C@H]1CO 5828639 ZPCQSJYTXRPREU-UCORVYFPSA-N 131.131 -1.219 0 30 AAAC O=C1O[C@H]2[C@@H](O[C@@H](O)[C@@H]2O)[C@H]1O 13828141 OGLCQHRZUSEXNB-PTSYSAGVSA-N 176.124 -2.649 0 30 AAAC NOC1(CC(=O)O)CNC1 225700240 ZXUIRBYHSIZRJC-UHFFFAOYSA-N 146.146 -1.307 0 30 AAAC O[C@@H]1[C@@H](CF)O[C@@H](O)[C@@H](O)[C@@H]1O 17047216 SHFYXYMHVMDNPY-DGPNFKTASA-N 182.147 -2.244 0 30 AAAC CN1CC(=O)N[C@@H](CO)C1=O 34596398 PXFSVLTWGCOYRV-BYPYZUCNSA-N 158.157 -2.065 0 30 AAAC C[C@@H](O)CNCCNC[C@@H](C)O 19362774 NXNQLKPBPWLUSX-HTQZYQBOSA-N 176.260 -1.073 0 30 AAAC O=C(O)CCC(=O)NCCO 31978988 DRIXHLZKJCLQJN-UHFFFAOYSA-N 161.157 -1.040 0 30 AAAC CN(C)C(=O)[C@@H](N)CO 39077944 PXABCZHNIITWIR-BYPYZUCNSA-N 132.163 -1.606 0 30 AAAC CC(=O)N[C@@H]1C(=O)COC1=O 137994579 JNOFRLWIIDAOFL-RXMQYKEDSA-N 157.125 -1.383 0 30 AAAC N[C@@H](CC(=O)O)[C@@H](O)C(=O)O 13353964 FYEASJKRDJYNDI-ZAFYKAAXSA-N 163.129 -1.766 0 30 AAAC biogenic,in-vitro O=C1CNN1 39319908 OGBVVFDFGOGDLG-UHFFFAOYSA-N 72.067 -1.379 0 30 AAAC O=C1CC(=O)N[C@H](C(=O)O)C1 38792187 JIOAUMVDGKPIAF-BYPYZUCNSA-N 157.125 -1.081 0 30 AAAC NC1=NNC(=O)[C@H]1N 104645841 PZQUSVQXQJZMJH-SFOWXEAESA-N 114.108 -2.284 0 30 AAAC CO[C@H]1NC(=O)CN(C)C1=O 39113631 AUDVQKXMGBKHRC-RXMQYKEDSA-N 158.157 -1.453 0 30 AAAC OC[C@@H](O)COC[C@@H]1CO1 5157215 RCXHRHWRRACBTK-PHDIDXHHSA-N 148.158 -1.245 0 30 AAAC CN(C)C(=O)C[C@@H](N)C(=O)O 8203401 AHEBZPSPUGRPFZ-SCSAIBSYSA-N 160.173 -1.123 0 30 AAAC COC(=O)[C@H](N)CCS(C)(=O)=O 26516579 OSFMMISXYHORSN-RXMQYKEDSA-N 195.240 -1.079 0 30 AAAC CC(=O)NCC[C@H](O)C(=O)O 138463593 ZGOUQAQNCBTXHD-YFKPBYRVSA-N 161.157 -1.042 0 30 AAAC N=C(N)N1C(=O)CC[C@H]1C(=O)O 5133390 VTFHUPNPAZCWEV-VKHMYHEASA-N 171.156 -1.045 0 30 AAAC O=c1c2c(c1=O)Nc1c(c(=O)c1=O)N2 39115414 DBINCBJKMZJXNG-UHFFFAOYSA-N 190.114 -1.321 0 30 AAAC NCN1CCNCC1 33505985 GHAIYFTVRRTBNG-UHFFFAOYSA-N 115.180 -1.192 0 30 AAAC CCn1ncn(N)c1=O 238855142 QPBCGWKNLXUFTF-UHFFFAOYSA-N 128.135 -1.222 0 30 AAAC OC[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O 896828 MPCAJMNYNOGXPB-VANKVMQKSA-N 164.157 -2.540 0 30 AAAC O=S1(=O)C[C@H](O)[C@@H](NC2CC2)C1 11755852 ZIINTXBQQWMMDG-BQBZGAKWSA-N 191.252 -1.104 0 30 AAAC Nc1c(N2CCOCC2)c(=O)c1=O 20458418 OXOYINIMOPDMAS-UHFFFAOYSA-N 182.179 -1.299 0 30 AAAC Cn1nnnc1NC=O 104615233 NCFFIYBOENDREU-UHFFFAOYSA-N 127.107 -1.222 0 30 AAAC NCCCC[C@@H](N)C(=O)OCCN 5113186 RHMJDCIYQZFNMK-SSDOTTSWSA-N 189.259 -1.055 0 30 AAAC OCCc1nnc(CCO)nn1 205574761 CWZFDOIJDKLMQF-UHFFFAOYSA-N 170.172 -1.664 0 30 AAAC N[C@@H]1CCC[C@@H]2C(=O)NNC(=O)[C@@H]21 575447515 CKIYNDXCWOQCIL-JKUQZMGJSA-N 183.211 -1.109 0 30 AAAC OCCN1C[C@H](O)[C@@H](O)C1 39059052 HPHOIGQFGPTGGB-WDSKDSINSA-N 147.174 -1.984 0 30 AAAC NNc1nc2c(=O)[nH]c(N)nc2[nH]1 38804439 TXGWTBFCLADKKR-UHFFFAOYSA-N 181.159 -1.486 0 30 AAAC in-vitro OC[C@@H]1COB(O)O1 197250176 HXGHIZVNPXUHFK-GSVOUGTGSA-N 117.897 -1.629 0 30 AAAC C[C@H](N)C(=O)OC[C@@H](O)CO 39072948 XFGOYBHCRRBKHR-WHFBIAKZSA-N 163.173 -1.770 0 30 AAAC COC(=O)[C@H](O)CCN 78467877 HXGXFXBXPGNZKO-SCSAIBSYSA-N 133.147 -1.131 0 30 AAAC NNc1nnc(NN)nn1 90469487 NLZBZABIJAZRIZ-UHFFFAOYSA-N 142.126 -2.162 0 30 AAAC COC(=O)[C@@H](N)CCS(C)(=O)=O 26516577 OSFMMISXYHORSN-YFKPBYRVSA-N 195.240 -1.079 0 30 AAAC N[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O 101107518 WCWOEQFAYSXBRK-HGVZOGFYSA-N 179.172 -3.255 0 30 AAAC N[C@]1(CO)CO[C@@H](CO)[C@@H]1O 223554624 INPMHIFYFJYIKV-HCWXCVPCSA-N 163.173 -2.572 0 30 AAAC O=S(=O)(CCO)c1cnn[nH]1 307013843 MFKWFYYNEMMJAZ-UHFFFAOYSA-N 177.185 -1.429 0 30 AAAC C[C@@H](O)C(=O)OCCO 6035975 YVOWOLLEVWDWOH-SCSAIBSYSA-N 134.131 -1.097 0 30 AAAC in-vitro OC[C@H]1NC[C@H](O)[C@H]1O 15657755 OQEBIHBLFRADNM-WISUUJSJSA-N 133.147 -2.328 0 30 AAAC OC[C@@H]1C[C@H](O)[C@H](O)[C@@H](O)[C@H]1O 201410452 TVKYRGWJELUGNG-RRNSMKEASA-N 178.184 -2.558 0 30 AAAC CO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 8602504 HOVAGTYPODGVJG-GKHCUFPYSA-N 194.183 -2.567 0 30 AAAC Cn1ncn(N)c1=O 32136662 ZEBYNMYXQZRGNV-UHFFFAOYSA-N 114.108 -1.704 0 30 AAAC in-vitro N[C@H]1CC[C@@H](O)NC1=O 95922326 MNZZKKFBIKYMGP-IUYQGCFVSA-N 130.147 -1.458 0 30 AAAC NCc1nc(=O)[nH]c(=O)[nH]1 104634993 DISSJNGVPLEDJJ-UHFFFAOYSA-N 142.118 -2.083 0 30 AAAC in-vitro CC(=O)Nc1ncn([C@H](O)CO)n1 45820487 YMCGTWMQZPZPKH-RXMQYKEDSA-N 186.171 -1.280 0 30 AAAC O=C1CCNC[C@H]1O 95937973 LYOGWMOAEKBTII-RXMQYKEDSA-N 115.132 -1.090 0 30 AAAC in-vitro